N-(3,5-ditert-butylphenyl)-4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-(3,5-ditert-butylphenyl)-4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: N-(3,5-ditert-butylphenyl)-4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: N-(3,5-ditert-butylphenyl)-4-(3-methoxyphenyl)-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-(3,5-ditert-butylphenyl)-4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: N-(3,5-ditert-butylphenyl)-4-(3-methoxyphenyl)-1-(2-pyrimidyl)isonipecotamide Formula: C31H40N4O2 MolecularWeight: 500.6749

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)NC(=O)C2(CCN(CC2)C3=NC=CC=N3)C4=CC(=CC=C4)OC)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)NC(=O)C2(CCN(CC2)C3=NC=CC=N3)C4=CC(=CC=C4)OC)C(C)(C)C

InChI

InChI=1S/C31H40N4O2/c1-29(2,3)23-18-24(30(4,5)6)20-25(19-23)34-27(36)31(22-10-8-11-26(21-22)37-7)12-16-35(17-13-31)28-32-14-9-15-33-28/h8-11,14-15,18-21H,12-13,16-17H2,1-7H3,(H,34,36)