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

Systemtic Name: 4-[4-(2,6-dimethylphenyl)piperazin-1-yl]carbonyl-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(2,6-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(2,6-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(2,6-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-[4-(2,6-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisocarbostyril Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=O)C3C(N(C(=O)C4=CC=CC=C34)CCOC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=O)C3C(N(C(=O)C4=CC=CC=C34)CCOC)C5=CC=CC=C5

InChI

InChI=1S/C31H35N3O3/c1-22-10-9-11-23(2)28(22)32-16-18-33(19-17-32)31(36)27-25-14-7-8-15-26(25)30(35)34(20-21-37-3)29(27)24-12-5-4-6-13-24/h4-15,27,29H,16-21H2,1-3H3