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

Systemtic Name: 2-(2-methoxyethyl)-4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]carbonyl-3-phenyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-(2-methoxyethyl)-3-phenyl-4-[4-(p-tolylmethyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-(2-methoxyethyl)-4-[[4-[(4-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]-3-phenyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-(2-methoxyethyl)-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-3-phenyl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(2-methoxyethyl)-4-[4-(4-methylbenzyl)piperazine-1-carbonyl]-3-phenyl-3,4-dihydroisocarbostyril Formula: C31H35N3O3 MolecularWeight: 497.6279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3C(N(C(=O)C4=CC=CC=C34)CCOC)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3C(N(C(=O)C4=CC=CC=C34)CCOC)C5=CC=CC=C5

InChI

InChI=1S/C31H35N3O3/c1-23-12-14-24(15-13-23)22-32-16-18-33(19-17-32)31(36)28-26-10-6-7-11-27(26)30(35)34(20-21-37-2)29(28)25-8-4-3-5-9-25/h3-15,28-29H,16-22H2,1-2H3