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

Systemtic Name: 1-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-(6,7-dimethyl-3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]-2-phenoxyethanone IUPAC Name: 1-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]-2-phenoxy-ethanone Formula: C29H30N4O2 MolecularWeight: 466.5741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=C3)N4CCCN(CC4)C(=O)COC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=C3)N4CCCN(CC4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2/c1-21-18-25-26(19-22(21)2)31-29(28(30-25)23-10-5-3-6-11-23)33-15-9-14-32(16-17-33)27(34)20-35-24-12-7-4-8-13-24/h3-8,10-13,18-19H,9,14-17,20H2,1-2H3