N-[4-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-(phenylmethyl)azepan-4-yl]amino]pentan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[4-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-(phenylmethyl)azepan-4-yl]amino]pentan-2-yl]quinoline-2-carboxamide Openeye Name: N-[1-[(1-benzyl-3-oxo-azepan-4-yl)carbamoyl]-3-methyl-butyl]quinoline-2-carboxamide CAS Name: N-[4-methyl-1-oxo-1-[[3-oxo-1-(phenylmethyl)-4-azepanyl]amino]pentan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[1-[(1-benzyl-3-oxoazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]quinoline-2-carboxamide Traditional Name: N-[1-[(1-benzyl-3-keto-azepan-4-yl)carbamoyl]-3-methyl-butyl]quinaldamide Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)CC2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1=O)CC2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H34N4O3/c1-20(2)17-26(32-28(35)25-15-14-22-11-6-7-12-23(22)30-25)29(36)31-24-13-8-16-33(19-27(24)34)18-21-9-4-3-5-10-21/h3-7,9-12,14-15,20,24,26H,8,13,16-19H2,1-2H3,(H,31,36)(H,32,35)