4-carbamimidoyl-N-(2-methyl-3-oxidanylidene-4-phenethyl-5H-1,4-benzodiazepin-7-yl)benzamide

Systemtic Name: 4-carbamimidoyl-N-(2-methyl-3-oxidanylidene-4-phenethyl-5H-1,4-benzodiazepin-7-yl)benzamide Openeye Name: 4-carbamimidoyl-N-(2-methyl-3-oxo-4-phenethyl-5H-1,4-benzodiazepin-7-yl)benzamide CAS Name: 4-carbamimidoyl-N-(2-methyl-3-oxo-4-phenethyl-5H-1,4-benzodiazepin-7-yl)benzamide IUPAC Name: 4-carbamimidoyl-N-(2-methyl-3-oxo-4-phenethyl-5H-1,4-benzodiazepin-7-yl)benzamide Traditional Name: 4-amidino-N-(3-keto-2-methyl-4-phenethyl-5H-1,4-benzodiazepin-7-yl)benzamide Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(CN(C1=O)CCC3=CC=CC=C3)C=C(C=C2)NC(=O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=NC2=C(CN(C1=O)CCC3=CC=CC=C3)C=C(C=C2)NC(=O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H25N5O2/c1-17-26(33)31(14-13-18-5-3-2-4-6-18)16-21-15-22(11-12-23(21)29-17)30-25(32)20-9-7-19(8-10-20)24(27)28/h2-12,15H,13-14,16H2,1H3,(H3,27,28)(H,30,32)