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

Systemtic Name: (3,4-dimethylphenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (3,4-dimethylphenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone CAS Name: (3,4-dimethylphenyl)-[4-(3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3,4-dimethylphenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (3,4-dimethylphenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Formula: C28H28N4O MolecularWeight: 436.54812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5)C

InChI

InChI=1S/C28H28N4O/c1-20-13-14-23(19-21(20)2)28(33)32-16-8-15-31(17-18-32)27-26(22-9-4-3-5-10-22)29-24-11-6-7-12-25(24)30-27/h3-7,9-14,19H,8,15-18H2,1-2H3