5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-(piperidin-1-ylmethyl)-2-pyridin-4-ylcarbonyl-pyrazolidin-3-one

Systemtic Name: 5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-(piperidin-1-ylmethyl)-2-pyridin-4-ylcarbonyl-pyrazolidin-3-one Openeye Name: 5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-(1-piperidylmethyl)-2-(pyridine-4-carbonyl)pyrazolidin-3-one CAS Name: 5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2-[oxo(pyridin-4-yl)methyl]-4-(1-piperidinylmethyl)-3-pyrazolidinone IUPAC Name: 5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-(piperidin-1-ylmethyl)-2-(pyridine-4-carbonyl)pyrazolidin-3-one Traditional Name: 2-isonicotinoyl-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-(piperidinomethyl)pyrazolidin-3-one Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2C(=C3C=CC=CC3=O)NN(C2=O)C(=O)C4=CC=NC=C4

Isomeric SMILES

C1CCN(CC1)CC2C(=C3C=CC=CC3=O)NN(C2=O)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H22N4O3/c26-18-7-3-2-6-16(18)19-17(14-24-12-4-1-5-13-24)21(28)25(23-19)20(27)15-8-10-22-11-9-15/h2-3,6-11,17,23H,1,4-5,12-14H2