N-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-cyanopropyl)-4-methyl-3H-pyrazole-2-carboxamide

Systemtic Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-cyanopropyl)-4-methyl-3H-pyrazole-2-carboxamide Openeye Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-cyanopropyl)-4-methyl-3H-pyrazole-2-carboxamide CAS Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-cyanopropyl)-4-methyl-3H-pyrazole-2-carboxamide IUPAC Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-cyanopropyl)-4-methyl-3H-pyrazole-2-carboxamide Traditional Name: N-(4-bromophenyl)-3-(4-chlorophenyl)-4-(3-cyanopropyl)-4-methyl-2-pyrazoline-1-carboxamide Formula: C21H20BrClN4O MolecularWeight: 459.7667

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Br)CCCC#N

Isomeric SMILES

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Br)CCCC#N

InChI

InChI=1S/C21H20BrClN4O/c1-21(12-2-3-13-24)14-27(20(28)25-18-10-6-16(22)7-11-18)26-19(21)15-4-8-17(23)9-5-15/h4-11H,2-3,12,14H2,1H3,(H,25,28)