N-(3-methylphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(m-tolyl)-4-[6-(1-piperidyl)pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(3-methylphenyl)-4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-methylphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(m-tolyl)-4-(6-piperidinopyrimidin-4-yl)piperazine-1-carboxamide Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

InChI

InChI=1S/C21H28N6O/c1-17-6-5-7-18(14-17)24-21(28)27-12-10-26(11-13-27)20-15-19(22-16-23-20)25-8-3-2-4-9-25/h5-7,14-16H,2-4,8-13H2,1H3,(H,24,28)