4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-naphthalen-1-yl-piperazine-1-carboxamide

Systemtic Name: 4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-naphthalen-1-yl-piperazine-1-carboxamide Openeye Name: 4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]-N-(1-naphthyl)piperazine-1-carboxamide CAS Name: 4-[5,6-dimethyl-2-(3-methylphenyl)-4-pyrimidinyl]-N-(1-naphthalenyl)-1-piperazinecarboxamide IUPAC Name: 4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-naphthalen-1-ylpiperazine-1-carboxamide Traditional Name: 4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]-N-(1-naphthyl)piperazine-1-carboxamide Formula: C28H29N5O MolecularWeight: 451.56276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)NC4=CC=CC5=CC=CC=C54)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)NC4=CC=CC5=CC=CC=C54)C)C

InChI

InChI=1S/C28H29N5O/c1-19-8-6-11-23(18-19)26-29-21(3)20(2)27(31-26)32-14-16-33(17-15-32)28(34)30-25-13-7-10-22-9-4-5-12-24(22)25/h4-13,18H,14-17H2,1-3H3,(H,30,34)