N-(4-carbamimidoylphenyl)-N,2-dimethyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide

Systemtic Name: N-(4-carbamimidoylphenyl)-N,2-dimethyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide Openeye Name: N-(4-carbamimidoylphenyl)-N,2-dimethyl-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide CAS Name: N-(4-carbamimidoylphenyl)-N,2-dimethyl-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide IUPAC Name: N-(4-carbamimidoylphenyl)-N,2-dimethyl-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide Traditional Name: N-(4-amidinophenyl)-3-keto-N,2-dimethyl-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(N1)C=C(C=C2)C(=O)N(C)C3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(CC2=C(N1)C=C(C=C2)C(=O)N(C)C3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4

InChI

InChI=1S/C27H29N5O2/c1-18-26(33)32(15-14-19-6-4-3-5-7-19)17-22-9-8-21(16-24(22)30-18)27(34)31(2)23-12-10-20(11-13-23)25(28)29/h3-13,16,18,30H,14-15,17H2,1-2H3,(H3,28,29)