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

Systemtic Name: (6E)-2-azanyl-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]-1H-pyridine-3-carbonitrile Openeye Name: (6E)-2-amino-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-[1-[3-(1-piperidyl)propanoyl]-3-piperidyl]-1H-pyridine-3-carbonitrile CAS Name: (6E)-2-amino-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-[1-[1-oxo-3-(1-piperidinyl)propyl]-3-piperidinyl]-1H-pyridine-3-carbonitrile IUPAC Name: (6E)-2-amino-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]-1H-pyridine-3-carbonitrile Traditional Name: (6E)-2-amino-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-[1-(3-piperidinopropanoyl)-3-piperidyl]-1H-pyridine-3-carbonitrile Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC(=O)N2CCCC(C2)C3=CC(=C4C=CC=CC4=O)NC(=C3C#N)N

Isomeric SMILES

C1CCN(CC1)CCC(=O)N2CCCC(C2)C3=C/C(=C\4/C=CC=CC4=O)/NC(=C3C#N)N

InChI

InChI=1S/C25H31N5O2/c26-16-21-20(15-22(28-25(21)27)19-8-2-3-9-23(19)31)18-7-6-13-30(17-18)24(32)10-14-29-11-4-1-5-12-29/h2-3,8-9,15,18,28H,1,4-7,10-14,17,27H2/b22-19+