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

Systemtic Name: 4-carbamimidoyl-N-(2-methyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-1-yl)benzamide Openeye Name: 4-carbamimidoyl-N-(2-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-1-yl)benzamide CAS Name: 4-carbamimidoyl-N-(2-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-1-yl)benzamide IUPAC Name: 4-carbamimidoyl-N-(2-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-1-yl)benzamide Traditional Name: 4-amidino-N-(3-keto-2-methyl-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-1-yl)benzamide Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=CC=CC=C2N1NC(=O)C3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(CC2=CC=CC=C2N1NC(=O)C3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O2/c1-18-26(33)30(16-15-19-7-3-2-4-8-19)17-22-9-5-6-10-23(22)31(18)29-25(32)21-13-11-20(12-14-21)24(27)28/h2-14,18H,15-17H2,1H3,(H3,27,28)(H,29,32)