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HBC

概要
表記:(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE
別名:BICYCLO[2.2.1]HEPTANE
組成式:C20 H21 N O
電荷:0
化学式量:291.387 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.04[(1R,2R,3S,4S)-2-amino-3-phenylbicyclo[2.2.1]hept-2-yl](phenyl)methanone
OpenEye OEToolkits1.5.0[(1R,2R,3S,4S)-2-amino-3-phenyl-2-bicyclo[2.2.1]heptanyl]-phenyl-methanone

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04O=C(c1ccccc1)C4(N)C2CCC(C2)C4c3ccccc3
SMILES_CANONICALCACTVS3.341N[C@@]1([C@@H]2CC[C@@H](C2)[C@H]1c3ccccc3)C(=O)c4ccccc4
SMILESCACTVS3.341N[C]1([CH]2CC[CH](C2)[CH]1c3ccccc3)C(=O)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)[C@@H]2[C@H]3CC[C@H](C3)[C@@]2(C(=O)c4ccccc4)N
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C2C3CCC(C3)C2(C(=O)c4ccccc4)N
InChIInChI1.03InChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1
InChIKeyInChI1.03XJQDTOANLAPEIM-JRBPQWBISA-N

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件を2024-07-17に公開中

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