2-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)carbonyl-isoquinolin-1-one

Systemtic Name: 2-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-(3,4-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(3,4-dimethylphenyl)-4-[(4-ethyl-1-piperazinyl)-oxomethyl]-1-isoquinolinone IUPAC Name: 2-(3,4-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-(3,4-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)isocarbostyril Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C24H27N3O2/c1-4-25-11-13-26(14-12-25)23(28)22-16-27(19-10-9-17(2)18(3)15-19)24(29)21-8-6-5-7-20(21)22/h5-10,15-16H,4,11-14H2,1-3H3