1-[2-[2-oxidanylidene-4-(1-phenylbenzimidazol-5-yl)pyrimidin-1-yl]ethyl]piperidine-4-carbonitrile

Systemtic Name: 1-[2-[2-oxidanylidene-4-(1-phenylbenzimidazol-5-yl)pyrimidin-1-yl]ethyl]piperidine-4-carbonitrile Openeye Name: 1-[2-[2-oxo-4-(1-phenylbenzimidazol-5-yl)pyrimidin-1-yl]ethyl]piperidine-4-carbonitrile CAS Name: 1-[2-[2-oxo-4-(1-phenyl-5-benzimidazolyl)-1-pyrimidinyl]ethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-[2-oxo-4-(1-phenylbenzimidazol-5-yl)pyrimidin-1-yl]ethyl]piperidine-4-carbonitrile Traditional Name: 1-[2-[2-keto-4-(1-phenylbenzimidazol-5-yl)pyrimidin-1-yl]ethyl]isonipecotonitrile Formula: C25H24N6O MolecularWeight: 424.49766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C#N)CCN2C=CC(=NC2=O)C3=CC4=C(C=C3)N(C=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C#N)CCN2C=CC(=NC2=O)C3=CC4=C(C=C3)N(C=N4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N6O/c26-17-19-8-11-29(12-9-19)14-15-30-13-10-22(28-25(30)32)20-6-7-24-23(16-20)27-18-31(24)21-4-2-1-3-5-21/h1-7,10,13,16,18-19H,8-9,11-12,14-15H2