2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]isoquinolin-1-one

Systemtic Name: 2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]isoquinolin-1-one Openeye Name: 2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]isoquinolin-1-one CAS Name: 2-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-1-isoquinolinone IUPAC Name: 2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]isoquinolin-1-one Traditional Name: 2-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]isocarbostyril Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=CC3=CC=CC=C3C2=O)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=CC3=CC=CC=C3C2=O)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H19N3O3S/c24-18(14-23-8-7-15-4-1-2-5-16(15)19(23)25)21-9-11-22(12-10-21)20(26)17-6-3-13-27-17/h1-8,13H,9-12,14H2