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

Systemtic Name: 1-butyl-3-(3-cyanophenyl)-2,4-bis(oxidanylidene)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide Openeye Name: 1-butyl-3-(3-cyanophenyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide CAS Name: 1-butyl-3-(3-cyanophenyl)-2,4-dioxo-N-[[4-(1-pyrazolyl)phenyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: 1-butyl-3-(3-cyanophenyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide Traditional Name: 1-butyl-3-(3-cyanophenyl)-2,4-diketo-N-(4-pyrazol-1-ylbenzyl)pyrimidine-5-carboxamide Formula: C26H24N6O3 MolecularWeight: 468.50716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N6O3/c1-2-3-13-30-18-23(25(34)32(26(30)35)22-7-4-6-20(15-22)16-27)24(33)28-17-19-8-10-21(11-9-19)31-14-5-12-29-31/h4-12,14-15,18H,2-3,13,17H2,1H3,(H,28,33)