N-[(3-carbamimidoylphenyl)methyl]-N-(2-methylpropyl)-2-oxidanylidene-2-(2-oxidanylidene-4-phenyl-azepan-1-yl)ethanamide

Systemtic Name: N-[(3-carbamimidoylphenyl)methyl]-N-(2-methylpropyl)-2-oxidanylidene-2-(2-oxidanylidene-4-phenyl-azepan-1-yl)ethanamide Openeye Name: N-[(3-carbamimidoylphenyl)methyl]-N-isobutyl-2-oxo-2-(2-oxo-4-phenyl-azepan-1-yl)acetamide CAS Name: N-[(3-carbamimidoylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-2-(2-oxo-4-phenyl-1-azepanyl)acetamide IUPAC Name: N-[(3-carbamimidoylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-2-(2-oxo-4-phenylazepan-1-yl)acetamide Traditional Name: N-(3-amidinobenzyl)-N-isobutyl-2-keto-2-(2-keto-4-phenyl-azepan-1-yl)acetamide Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC(=C1)C(=N)N)C(=O)C(=O)N2CCCC(CC2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CC1=CC=CC(=C1)C(=N)N)C(=O)C(=O)N2CCCC(CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C26H32N4O3/c1-18(2)16-29(17-19-8-6-11-22(14-19)24(27)28)25(32)26(33)30-13-7-12-21(15-23(30)31)20-9-4-3-5-10-20/h3-6,8-11,14,18,21H,7,12-13,15-17H2,1-2H3,(H3,27,28)