N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-methylpropyl)-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-methylpropyl)-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-isobutyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-(2-methylpropyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-methylpropyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-isobutyl-1-keto-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2C(N(C(=O)C3=CC=CC=C23)CC(C)C)C4=CC=CS4

Isomeric SMILES

CCN1CCCC1CNC(=O)C2C(N(C(=O)C3=CC=CC=C23)CC(C)C)C4=CC=CS4

InChI

InChI=1S/C25H33N3O2S/c1-4-27-13-7-9-18(27)15-26-24(29)22-19-10-5-6-11-20(19)25(30)28(16-17(2)3)23(22)21-12-8-14-31-21/h5-6,8,10-12,14,17-18,22-23H,4,7,9,13,15-16H2,1-3H3,(H,26,29)