N-[(4-carbamimidoylphenyl)methyl]-2-(2-hydroxyethyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2-hydroxyethyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2-hydroxyethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2-hydroxyethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2-hydroxyethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide Traditional Name: N-(4-amidinobenzyl)-2-(2-hydroxyethyl)-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N)NC(C(=O)N1CCC4=CC=CC=C4)CCO

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N)NC(C(=O)N1CCC4=CC=CC=C4)CCO

InChI

InChI=1S/C28H31N5O3/c29-26(30)21-8-6-20(7-9-21)17-31-27(35)22-10-11-23-18-33(14-12-19-4-2-1-3-5-19)28(36)24(13-15-34)32-25(23)16-22/h1-11,16,24,32,34H,12-15,17-18H2,(H3,29,30)(H,31,35)