3-methyl-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]but-2-en-1-one Openeye Name: 3-methyl-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]but-2-en-1-one CAS Name: 3-methyl-1-[4-(3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]-2-buten-1-one IUPAC Name: 3-methyl-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]but-2-en-1-one Traditional Name: 3-methyl-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]but-2-en-1-one Formula: C24H26N4O MolecularWeight: 386.48944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4)C

Isomeric SMILES

CC(=CC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4)C

InChI

InChI=1S/C24H26N4O/c1-18(2)17-22(29)27-13-8-14-28(16-15-27)24-23(19-9-4-3-5-10-19)25-20-11-6-7-12-21(20)26-24/h3-7,9-12,17H,8,13-16H2,1-2H3