1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide Openeye Name: 1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-(4-thiazol-4-ylphenyl)piperidine-3-carboxamide CAS Name: 1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-N-[4-(4-thiazolyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide Traditional Name: 1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-N-(4-thiazol-4-ylphenyl)nipecotamide Formula: C24H24N6OS MolecularWeight: 444.55196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CN2C3=NC=CC=N3)C(=O)NC4=CC=C(C=C4)C5=CSC=N5

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CN2C3=NC=CC=N3)C(=O)NC4=CC=C(C=C4)C5=CSC=N5

InChI

InChI=1S/C24H24N6OS/c31-23(28-20-8-6-18(7-9-20)22-16-32-17-27-22)19-4-1-12-29(14-19)15-21-5-2-13-30(21)24-25-10-3-11-26-24/h2-3,5-11,13,16-17,19H,1,4,12,14-15H2,(H,28,31)