CXX
概要
表記: | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE |
別名: | 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine |
組成式: | C19 H23 Cl N2 |
電荷: | 0 |
化学式量: | 314.852 Da |
分子種別: | NON-POLYMER |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 10.04 | 3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine |
OpenEye OEToolkits | 1.5.0 | 3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine |
化合物記述子(線形表記)
種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Clc1ccc3c(c1)N(c2ccccc2CC3)CCCN(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13 |
SMILES | CACTVS | 3.341 | CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl |
InChI | InChI | 1.03 | InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 |
InChIKey | InChI | 1.03 | GDLIGKIOYRNHDA-UHFFFAOYSA-N |