N-methyl-2-[5-methyl-3-(2-methylpropyl)-2-oxidanylidene-4-(2-quinolin-6-ylethanoyl)-1,4-diazepan-1-yl]-3-naphthalen-2-yl-propanamide

Systemtic Name: N-methyl-2-[5-methyl-3-(2-methylpropyl)-2-oxidanylidene-4-(2-quinolin-6-ylethanoyl)-1,4-diazepan-1-yl]-3-naphthalen-2-yl-propanamide Openeye Name: 2-[3-isobutyl-5-methyl-2-oxo-4-[2-(6-quinolyl)acetyl]-1,4-diazepan-1-yl]-N-methyl-3-(2-naphthyl)propanamide CAS Name: N-methyl-2-[5-methyl-3-(2-methylpropyl)-2-oxo-4-[1-oxo-2-(6-quinolinyl)ethyl]-1,4-diazepan-1-yl]-3-(2-naphthalenyl)propanamide IUPAC Name: N-methyl-2-[5-methyl-3-(2-methylpropyl)-2-oxo-4-(2-quinolin-6-ylacetyl)-1,4-diazepan-1-yl]-3-naphthalen-2-ylpropanamide Traditional Name: 2-[3-isobutyl-2-keto-5-methyl-4-[2-(6-quinolyl)acetyl]-1,4-diazepan-1-yl]-N-methyl-3-(2-naphthyl)propionamide Formula: C35H40N4O3 MolecularWeight: 564.7171

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(=O)C(N1C(=O)CC2=CC3=C(C=C2)N=CC=C3)CC(C)C)C(CC4=CC5=CC=CC=C5C=C4)C(=O)NC

Isomeric SMILES

CC1CCN(C(=O)C(N1C(=O)CC2=CC3=C(C=C2)N=CC=C3)CC(C)C)C(CC4=CC5=CC=CC=C5C=C4)C(=O)NC

InChI

InChI=1S/C35H40N4O3/c1-23(2)18-32-35(42)38(31(34(41)36-4)21-25-11-13-27-8-5-6-9-28(27)19-25)17-15-24(3)39(32)33(40)22-26-12-14-30-29(20-26)10-7-16-37-30/h5-14,16,19-20,23-24,31-32H,15,17-18,21-22H2,1-4H3,(H,36,41)