2-[1-[1-[(2-azanylpyridin-4-yl)methyl]-4-fluoranyl-piperidin-4-yl]carbonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile

Systemtic Name: 2-[1-[1-[(2-azanylpyridin-4-yl)methyl]-4-fluoranyl-piperidin-4-yl]carbonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Openeye Name: 2-[1-[1-[(2-amino-4-pyridyl)methyl]-4-fluoro-piperidine-4-carbonyl]-4-piperidyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile CAS Name: 2-[1-[[1-[(2-amino-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]-oxomethyl]-4-piperidinyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile IUPAC Name: 2-[1-[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidine-4-carbonyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Traditional Name: 2-[1-[1-[(2-amino-4-pyridyl)methyl]-4-fluoro-isonipecotoyl]-4-piperidyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Formula: C27H33FN6O MolecularWeight: 476.588923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC3=C(C2)C=C(C=C3)C#N)C(=O)C4(CCN(CC4)CC5=CC(=NC=C5)N)F

Isomeric SMILES

C1CN(CCC1N2CCC3=C(C2)C=C(C=C3)C#N)C(=O)C4(CCN(CC4)CC5=CC(=NC=C5)N)F

InChI

InChI=1S/C27H33FN6O/c28-27(7-13-32(14-8-27)18-21-3-9-31-25(30)16-21)26(35)33-11-5-24(6-12-33)34-10-4-22-2-1-20(17-29)15-23(22)19-34/h1-3,9,15-16,24H,4-8,10-14,18-19H2,(H2,30,31)