1-[(2-cyclopropyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[(2-cyclopropyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[(2-cyclopropyl-4-oxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[(2-cyclopropyl-4-oxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[(2-cyclopropyl-4-oxo-1H-pyrimidin-6-yl)methyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[(2-cyclopropyl-4-keto-1H-pyrimidin-6-yl)methyl]-4-phenyl-isonipecotonitrile Formula: C20H22N4O MolecularWeight: 334.41488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=O)C=C(N2)CN3CCC(CC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NC(=O)C=C(N2)CN3CCC(CC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O/c21-14-20(16-4-2-1-3-5-16)8-10-24(11-9-20)13-17-12-18(25)23-19(22-17)15-6-7-15/h1-5,12,15H,6-11,13H2,(H,22,23,25)