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

Systemtic Name: 2-(3,4-dimethylphenyl)-4-(4-propylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-(3,4-dimethylphenyl)-4-(4-propylpiperazine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(3,4-dimethylphenyl)-4-[oxo-(4-propyl-1-piperazinyl)methyl]-1-isoquinolinone IUPAC Name: 2-(3,4-dimethylphenyl)-4-(4-propylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-(3,4-dimethylphenyl)-4-(4-propylpiperazine-1-carbonyl)isocarbostyril Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C25H29N3O2/c1-4-11-26-12-14-27(15-13-26)24(29)23-17-28(20-10-9-18(2)19(3)16-20)25(30)22-8-6-5-7-21(22)23/h5-10,16-17H,4,11-15H2,1-3H3