4-[ethyl-(3-methylphenyl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide

Systemtic Name: 4-[ethyl-(3-methylphenyl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide Openeye Name: 4-(N-ethyl-3-methyl-anilino)-2-phenyl-N-[2-(1-piperidyl)ethyl]pyrimidine-5-carboxamide CAS Name: 4-(N-ethyl-3-methylanilino)-2-phenyl-N-[2-(1-piperidinyl)ethyl]-5-pyrimidinecarboxamide IUPAC Name: 4-(N-ethyl-3-methylanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide Traditional Name: 4-(N-ethyl-3-methyl-anilino)-2-phenyl-N-(2-piperidinoethyl)pyrimidine-5-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC(=NC=C2C(=O)NCCN3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC(=NC=C2C(=O)NCCN3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N5O/c1-3-32(23-14-10-11-21(2)19-23)26-24(20-29-25(30-26)22-12-6-4-7-13-22)27(33)28-15-18-31-16-8-5-9-17-31/h4,6-7,10-14,19-20H,3,5,8-9,15-18H2,1-2H3,(H,28,33)