2-methyl-6-[phenyl(piperazin-1-yl)methyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-methyl-6-[phenyl(piperazin-1-yl)methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-methyl-6-[phenyl(piperazin-1-yl)methyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-methyl-6-[phenyl(1-piperazinyl)methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-methyl-6-[phenyl(piperazin-1-yl)methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-methyl-6-[phenyl(piperazino)methyl]-3,4-dihydroisocarbostyril Formula: C21H25N3O MolecularWeight: 335.4427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1=O)C=CC(=C2)C(C3=CC=CC=C3)N4CCNCC4

Isomeric SMILES

CN1CCC2=C(C1=O)C=CC(=C2)C(C3=CC=CC=C3)N4CCNCC4

InChI

InChI=1S/C21H25N3O/c1-23-12-9-17-15-18(7-8-19(17)21(23)25)20(16-5-3-2-4-6-16)24-13-10-22-11-14-24/h2-8,15,20,22H,9-14H2,1H3