3-(4-phenylpiperazin-1-yl)carbonyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

Systemtic Name: 3-(4-phenylpiperazin-1-yl)carbonyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Openeye Name: 3-(4-phenylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one CAS Name: 3-[oxo-(4-phenyl-1-piperazinyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one IUPAC Name: 3-(4-phenylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Traditional Name: 3-(4-phenylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Formula: C24H26N4O2 MolecularWeight: 402.48884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)N2CC1

InChI

InChI=1S/C24H26N4O2/c29-23(27-15-13-26(14-16-27)19-7-3-1-4-8-19)18-10-11-20-21(17-18)25-22-9-5-2-6-12-28(22)24(20)30/h1,3-4,7-8,10-11,17H,2,5-6,9,12-16H2