2-[4-[2-oxidanylidene-5-phenyl-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]butyl]guanidine hydrochloride

Systemtic Name: 2-[4-[2-oxidanylidene-5-phenyl-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]butyl]guanidine hydrochloride Openeye Name: 2-[4-(3-benzyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butyl]guanidine hydrochloride CAS Name: 2-[4-[2-oxo-5-phenyl-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]butyl]guanidine hydrochloride IUPAC Name: 2-[4-(3-benzyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butyl]guanidine hydrochloride Traditional Name: 2-[4-(3-benzyl-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)butyl]guanidine hydrochloride Formula: C27H30ClN5O MolecularWeight: 476.013

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CCCCN=C(N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CCCCN=C(N)N.Cl

InChI

InChI=1S/C27H29N5O.ClH/c28-27(29)30-17-9-10-18-32-24-16-8-7-15-22(24)25(21-13-5-2-6-14-21)31-23(26(32)33)19-20-11-3-1-4-12-20;/h1-8,11-16,23H,9-10,17-19H2,(H4,28,29,30);1H