2-(3,4-dimethylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one

Systemtic Name: 2-(3,4-dimethylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 2-(3,4-dimethylphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoquinolin-1-one CAS Name: 2-(3,4-dimethylphenyl)-4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-1-isoquinolinone IUPAC Name: 2-(3,4-dimethylphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoquinolin-1-one Traditional Name: 2-(3,4-dimethylphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isocarbostyril Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=C5OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=C5OC)C

InChI

InChI=1S/C29H29N3O3/c1-20-12-13-22(18-21(20)2)32-19-25(23-8-4-5-9-24(23)29(32)34)28(33)31-16-14-30(15-17-31)26-10-6-7-11-27(26)35-3/h4-13,18-19H,14-17H2,1-3H3