[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]-(4-pentylphenyl)methanone

Systemtic Name: [4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]-(4-pentylphenyl)methanone Openeye Name: [4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]-(4-pentylphenyl)methanone CAS Name: [4-(6,7-dimethyl-3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]-(4-pentylphenyl)methanone IUPAC Name: [4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]-(4-pentylphenyl)methanone Traditional Name: (4-amylphenyl)-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Formula: C33H38N4O MolecularWeight: 506.68102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC4=C(C=C(C(=C4)C)C)N=C3C5=CC=CC=C5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC4=C(C=C(C(=C4)C)C)N=C3C5=CC=CC=C5

InChI

InChI=1S/C33H38N4O/c1-4-5-7-11-26-14-16-28(17-15-26)33(38)37-19-10-18-36(20-21-37)32-31(27-12-8-6-9-13-27)34-29-22-24(2)25(3)23-30(29)35-32/h6,8-9,12-17,22-23H,4-5,7,10-11,18-21H2,1-3H3