N-[5-cyano-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]benzamide

Systemtic Name: N-[5-cyano-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-5-cyano-pyrimidin-4-yl]benzamide CAS Name: N-[5-cyano-2-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-5-cyanopyrimidin-4-yl]benzamide Traditional Name: N-[2-(4-benzylpiperazino)-5-cyano-pyrimidin-4-yl]benzamide Formula: C23H22N6O MolecularWeight: 398.46038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=C(C(=N3)NC(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=C(C(=N3)NC(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H22N6O/c24-15-20-16-25-23(27-21(20)26-22(30)19-9-5-2-6-10-19)29-13-11-28(12-14-29)17-18-7-3-1-4-8-18/h1-10,16H,11-14,17H2,(H,25,26,27,30)