N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-(2-methylpropyl)-2-oxidanylidene-1H-pyrimidine-4-carboxamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-(2-methylpropyl)-2-oxidanylidene-1H-pyrimidine-4-carboxamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]-3-piperidyl]-6-isobutyl-2-oxo-1H-pyrimidine-4-carboxamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-3-piperidinyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide Traditional Name: N-[1-(4-chlorobenzyl)-3-piperidyl]-6-isobutyl-2-keto-1H-pyrimidine-4-carboxamide Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NC(=O)N1)C(=O)NC2CCCN(C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CC1=CC(=NC(=O)N1)C(=O)NC2CCCN(C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN4O2/c1-14(2)10-18-11-19(25-21(28)24-18)20(27)23-17-4-3-9-26(13-17)12-15-5-7-16(22)8-6-15/h5-8,11,14,17H,3-4,9-10,12-13H2,1-2H3,(H,23,27)(H,24,25,28)