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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O/c1-3-18(2)24(29)28-15-9-14-27(16-17-28)23-22(19-10-5-4-6-11-19)25-20-12-7-8-13-21(20)26-23/h3-8,10-13H,9,14-17H2,1-2H3/b18-3+