azepan-1-yl-[2-[4-(2-methylpropyl)phenyl]quinolin-4-yl]methanone

Systemtic Name: azepan-1-yl-[2-[4-(2-methylpropyl)phenyl]quinolin-4-yl]methanone Openeye Name: azepan-1-yl-[2-(4-isobutylphenyl)-4-quinolyl]methanone CAS Name: 1-azepanyl-[2-[4-(2-methylpropyl)phenyl]-4-quinolinyl]methanone IUPAC Name: azepan-1-yl-[2-[4-(2-methylpropyl)phenyl]quinolin-4-yl]methanone Traditional Name: azepan-1-yl-[2-(4-isobutylphenyl)-4-quinolyl]methanone Formula: C26H30N2O MolecularWeight: 386.5292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCCCC4

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H30N2O/c1-19(2)17-20-11-13-21(14-12-20)25-18-23(22-9-5-6-10-24(22)27-25)26(29)28-15-7-3-4-8-16-28/h5-6,9-14,18-19H,3-4,7-8,15-17H2,1-2H3