N-(3-cyanophenyl)-2-cyclopentyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-(3-cyanophenyl)-2-cyclopentyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(3-cyanophenyl)-2-cyclopentyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(3-cyanophenyl)-2-cyclopentyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(3-cyanophenyl)-2-cyclopentyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(3-cyanophenyl)-2-cyclopentyl-1-keto-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC(=C4)C#N)C5=CC=CS5

Isomeric SMILES

C1CCC(C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC(=C4)C#N)C5=CC=CS5

InChI

InChI=1S/C26H23N3O2S/c27-16-17-7-5-8-18(15-17)28-25(30)23-20-11-3-4-12-21(20)26(31)29(19-9-1-2-10-19)24(23)22-13-6-14-32-22/h3-8,11-15,19,23-24H,1-2,9-10H2,(H,28,30)