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Summary Geometry Related PDB entries

0M2

Summary

Name:	(2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol
Formula:	C19 H20 N2 O
Formal charge:	0
Formula weight:	292.375 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(C)CN4CC2=C(c3c(Nc1ccccc12)cccc3)C4
InChI	InChI	1.03	InChI=1S/C19H20N2O/c1-13(22)10-21-11-16-14-6-2-4-8-18(14)20-19-9-5-3-7-15(19)17(16)12-21/h2-9,13,20,22H,10-12H2,1H3/t13-/m1/s1
InChIKey	InChI	1.03	KUHCFTHIRUPZQC-CYBMUJFWSA-N
SMILES_CANONICAL	CACTVS	3.370	C[C@@H](O)CN1CC2=C(C1)c3ccccc3Nc4ccccc24
SMILES	CACTVS	3.370	C[CH](O)CN1CC2=C(C1)c3ccccc3Nc4ccccc24
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	C[C@H](CN1CC2=C(C1)c3ccccc3Nc4c2cccc4)O
SMILES	OpenEye OEToolkits	1.7.6	CC(CN1CC2=C(C1)c3ccccc3Nc4c2cccc4)O

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