4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]-3-nitro-benzamide CAS Name: 4-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]-3-nitrobenzamide IUPAC Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]-3-nitro-benzamide Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c23-21(27)17-5-6-19(20(13-17)26(29)30)24-10-8-16(9-11-24)22(28)25-12-7-15-3-1-2-4-18(15)14-25/h1-6,13,16H,7-12,14H2,(H2,23,27)