3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Formula: C23H23N3O2 MolecularWeight: 373.44762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)C(=O)N2CC1

InChI

InChI=1S/C23H23N3O2/c27-22(25-13-11-16-6-3-4-7-18(16)15-25)17-9-10-19-20(14-17)24-21-8-2-1-5-12-26(21)23(19)28/h3-4,6-7,9-10,14H,1-2,5,8,11-13,15H2