N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]piperidin-4-yl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]piperidin-4-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-piperidyl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-4-piperidinyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-piperidyl]-5-nitro-thiophene-2-carboxamide Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3(CCNCC3)NC(=O)C4=CC=C(S4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3(CCNCC3)NC(=O)C4=CC=C(S4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H26N4O6S/c1-31-16-11-14-5-10-25(13-15(14)12-17(16)32-2)21(28)22(6-8-23-9-7-22)24-20(27)18-3-4-19(33-18)26(29)30/h3-4,11-12,23H,5-10,13H2,1-2H3,(H,24,27)