[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O4/c1-35-24-18-21(19-25(36-2)27(24)37-3)29(34)33-15-9-14-32(16-17-33)28-26(20-10-5-4-6-11-20)30-22-12-7-8-13-23(22)31-28/h4-8,10-13,18-19H,9,14-17H2,1-3H3