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

Systemtic Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]piperidin-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-piperidyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-4-piperidinyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-piperidyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C21H26N6O6 MolecularWeight: 458.46774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3(CCNCC3)NC(=O)C4=CC(=NN4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3(CCNCC3)NC(=O)C4=CC(=NN4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H26N6O6/c1-32-16-9-13-3-8-26(12-14(13)10-17(16)33-2)20(29)21(4-6-22-7-5-21)23-19(28)15-11-18(25-24-15)27(30)31/h9-11,22H,3-8,12H2,1-2H3,(H,23,28)(H,24,25)