N-[2-(azepan-1-yl)ethyl]-4-[4-(2-methylpropyl)-3-oxidanylidene-quinoxalin-2-yl]benzamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-[4-(2-methylpropyl)-3-oxidanylidene-quinoxalin-2-yl]benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-4-(4-isobutyl-3-oxo-quinoxalin-2-yl)benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-[4-(2-methylpropyl)-3-oxo-2-quinoxalinyl]benzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-(4-isobutyl-3-keto-quinoxalin-2-yl)benzamide Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C(C1=O)C3=CC=C(C=C3)C(=O)NCCN4CCCCCC4

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C(C1=O)C3=CC=C(C=C3)C(=O)NCCN4CCCCCC4

InChI

InChI=1S/C27H34N4O2/c1-20(2)19-31-24-10-6-5-9-23(24)29-25(27(31)33)21-11-13-22(14-12-21)26(32)28-15-18-30-16-7-3-4-8-17-30/h5-6,9-14,20H,3-4,7-8,15-19H2,1-2H3,(H,28,32)