5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)-4-thiophen-2-yl-cyclohexyl]-5-oxidanylidene-pentanamide

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)-4-thiophen-2-yl-cyclohexyl]-5-oxidanylidene-pentanamide Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)-4-(2-thienyl)cyclohexyl]-5-oxo-pentanamide CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)-4-thiophen-2-ylcyclohexyl]-5-oxopentanamide IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)-4-thiophen-2-ylcyclohexyl]-5-oxopentanamide Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(dimethylamino)-4-(2-thienyl)cyclohexyl]-5-keto-valeramide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCC(CC1)NC(=O)CCCC(=O)N2CCC3=CC=CC=C3C2)C4=CC=CS4

Isomeric SMILES

CN(C)C1(CCC(CC1)NC(=O)CCCC(=O)N2CCC3=CC=CC=C3C2)C4=CC=CS4

InChI

InChI=1S/C26H35N3O2S/c1-28(2)26(23-9-6-18-32-23)15-12-22(13-16-26)27-24(30)10-5-11-25(31)29-17-14-20-7-3-4-8-21(20)19-29/h3-4,6-9,18,22H,5,10-17,19H2,1-2H3,(H,27,30)