2-[4-[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]piperazino]isonicotinonitrile Formula: C28H26N6O2 MolecularWeight: 478.54504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N)CC5=CC=CC=C5

InChI

InChI=1S/C28H26N6O2/c1-36-24-9-5-8-23(17-24)27-25(20-34(31-27)19-21-6-3-2-4-7-21)28(35)33-14-12-32(13-15-33)26-16-22(18-29)10-11-30-26/h2-11,16-17,20H,12-15,19H2,1H3