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

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]pyridine-3-carbonitrile CAS Name: 2-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]nicotinonitrile Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4=C(C=CC=N4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C21H22N4O/c22-14-18-6-3-10-23-20(18)24-11-8-17(9-12-24)21(26)25-13-7-16-4-1-2-5-19(16)15-25/h1-6,10,17H,7-9,11-13,15H2