4-butyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanecarboxamide Formula: C25H32N2O2S MolecularWeight: 424.59878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

InChI

InChI=1S/C25H32N2O2S/c1-2-3-5-18-7-9-20(10-8-18)24(28)26-22-12-11-19-13-14-27(17-21(19)16-22)25(29)23-6-4-15-30-23/h4,6,11-12,15-16,18,20H,2-3,5,7-10,13-14,17H2,1H3,(H,26,28)