(2E)-4-azanyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-6-[1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carbonitrile

Systemtic Name: (2E)-4-azanyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-6-[1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carbonitrile Openeye Name: (2E)-4-amino-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-6-[1-(3-phenylpropyl)-3-piperidyl]-1H-pyrimidine-5-carbonitrile CAS Name: (2E)-4-amino-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-6-[1-(3-phenylpropyl)-3-piperidinyl]-1H-pyrimidine-5-carbonitrile IUPAC Name: (2E)-4-amino-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-6-[1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carbonitrile Traditional Name: (2E)-4-amino-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-6-[1-(3-phenylpropyl)-3-piperidyl]-1H-pyrimidine-5-carbonitrile Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCCC2=CC=CC=C2)C3=C(C(=NC(=C4C=CC=CC4=O)N3)N)C#N

Isomeric SMILES

C1CC(CN(C1)CCCC2=CC=CC=C2)C3=C(C(=N/C(=C/4\C=CC=CC4=O)/N3)N)C#N

InChI

InChI=1S/C25H27N5O/c26-16-21-23(28-25(29-24(21)27)20-12-4-5-13-22(20)31)19-11-7-15-30(17-19)14-6-10-18-8-2-1-3-9-18/h1-5,8-9,12-13,19,28H,6-7,10-11,14-15,17H2,(H2,27,29)/b25-20+