(4-pentylphenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-pentylphenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-pentylphenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone CAS Name: (4-pentylphenyl)-[4-(3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-pentylphenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-amylphenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Formula: C31H34N4O MolecularWeight: 478.62786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C31H34N4O/c1-2-3-5-11-24-16-18-26(19-17-24)31(36)35-21-10-20-34(22-23-35)30-29(25-12-6-4-7-13-25)32-27-14-8-9-15-28(27)33-30/h4,6-9,12-19H,2-3,5,10-11,20-23H2,1H3