2-cyclopentyl-1-oxidanylidene-N-phenethyl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-cyclopentyl-1-oxidanylidene-N-phenethyl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-cyclopentyl-1-oxo-N-phenethyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-cyclopentyl-1-oxo-N-phenethyl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-cyclopentyl-1-oxo-N-phenethyl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-cyclopentyl-1-keto-N-phenethyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)NCCC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CCC(C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)NCCC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C27H28N2O2S/c30-26(28-17-16-19-9-2-1-3-10-19)24-21-13-6-7-14-22(21)27(31)29(20-11-4-5-12-20)25(24)23-15-8-18-32-23/h1-3,6-10,13-15,18,20,24-25H,4-5,11-12,16-17H2,(H,28,30)