4-acetamido-N-[1-[2-[[3-(aminomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]benzamide

Systemtic Name: 4-acetamido-N-[1-[2-[[3-(aminomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]benzamide Openeye Name: 4-acetamido-N-[1-[2-[3-(aminomethyl)anilino]-2-oxo-ethyl]-2-oxo-azepan-3-yl]benzamide CAS Name: 4-acetamido-N-[1-[2-[3-(aminomethyl)anilino]-2-oxoethyl]-2-oxo-3-azepanyl]benzamide IUPAC Name: 4-acetamido-N-[1-[2-[3-(aminomethyl)anilino]-2-oxoethyl]-2-oxoazepan-3-yl]benzamide Traditional Name: 4-acetamido-N-[1-[2-[3-(aminomethyl)anilino]-2-keto-ethyl]-2-keto-azepan-3-yl]benzamide Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NC2CCCCN(C2=O)CC(=O)NC3=CC=CC(=C3)CN

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC2CCCCN(C2=O)CC(=O)NC3=CC=CC(=C3)CN

InChI

InChI=1S/C24H29N5O4/c1-16(30)26-19-10-8-18(9-11-19)23(32)28-21-7-2-3-12-29(24(21)33)15-22(31)27-20-6-4-5-17(13-20)14-25/h4-6,8-11,13,21H,2-3,7,12,14-15,25H2,1H3,(H,26,30)(H,27,31)(H,28,32)