2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]-5-nitro-benzonitrile CAS Name: 2-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]-5-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)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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