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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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