N-[4-(cyanomethyl)piperazin-1-yl]-2-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-[4-(cyanomethyl)piperazin-1-yl]-2-phenyl-pyrimidine-5-carboxamide Openeye Name: N-[4-(cyanomethyl)piperazin-1-yl]-2-phenyl-pyrimidine-5-carboxamide CAS Name: N-[4-(cyanomethyl)-1-piperazinyl]-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)piperazin-1-yl]-2-phenylpyrimidine-5-carboxamide Traditional Name: N-[4-(cyanomethyl)piperazino]-2-phenyl-pyrimidine-5-carboxamide Formula: C17H18N6O MolecularWeight: 322.36442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#N)NC(=O)C2=CN=C(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC#N)NC(=O)C2=CN=C(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H18N6O/c18-6-7-22-8-10-23(11-9-22)21-17(24)15-12-19-16(20-13-15)14-4-2-1-3-5-14/h1-5,12-13H,7-11H2,(H,21,24)