4-(azepan-1-yl)-N-[2-methyl-1-[(4-methylphenyl)methyl]-4-oxidanylidene-quinolin-6-yl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-methyl-1-[(4-methylphenyl)methyl]-4-oxidanylidene-quinolin-6-yl]-4-oxidanylidene-butanamide Openeye Name: 4-(azepan-1-yl)-N-[2-methyl-4-oxo-1-(p-tolylmethyl)-6-quinolyl]-4-oxo-butanamide CAS Name: 4-(1-azepanyl)-N-[2-methyl-1-[(4-methylphenyl)methyl]-4-oxo-6-quinolinyl]-4-oxobutanamide IUPAC Name: 4-(azepan-1-yl)-N-[2-methyl-1-[(4-methylphenyl)methyl]-4-oxoquinolin-6-yl]-4-oxobutanamide Traditional Name: 4-(azepan-1-yl)-4-keto-N-[4-keto-2-methyl-1-(4-methylbenzyl)-6-quinolyl]butyramide Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=CC(=O)C3=C2C=CC(=C3)NC(=O)CCC(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=CC(=O)C3=C2C=CC(=C3)NC(=O)CCC(=O)N4CCCCCC4)C

InChI

InChI=1S/C28H33N3O3/c1-20-7-9-22(10-8-20)19-31-21(2)17-26(32)24-18-23(11-12-25(24)31)29-27(33)13-14-28(34)30-15-5-3-4-6-16-30/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H,29,33)