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

Systemtic Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]-3-nitro-benzonitrile CAS Name: 4-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]-3-nitro-benzonitrile Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c23-14-16-5-6-20(21(13-16)26(28)29)24-10-8-18(9-11-24)22(27)25-12-7-17-3-1-2-4-19(17)15-25/h1-6,13,18H,7-12,15H2