1-butyl-3-(3-chlorophenyl)-2,4-bis(oxidanylidene)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide

Systemtic Name: 1-butyl-3-(3-chlorophenyl)-2,4-bis(oxidanylidene)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide Openeye Name: 1-butyl-3-(3-chlorophenyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide CAS Name: 1-butyl-3-(3-chlorophenyl)-2,4-dioxo-N-[[4-(1-pyrazolyl)phenyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: 1-butyl-3-(3-chlorophenyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide Traditional Name: 1-butyl-3-(3-chlorophenyl)-2,4-diketo-N-(4-pyrazol-1-ylbenzyl)pyrimidine-5-carboxamide Formula: C25H24ClN5O3 MolecularWeight: 477.94276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)C(=O)NCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCCCN1C=C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)C(=O)NCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C25H24ClN5O3/c1-2-3-13-29-17-22(24(33)31(25(29)34)21-7-4-6-19(26)15-21)23(32)27-16-18-8-10-20(11-9-18)30-14-5-12-28-30/h4-12,14-15,17H,2-3,13,16H2,1H3,(H,27,32)