5-chloranyl-3-methyl-1-phenyl-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-phenyl-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-1-phenyl-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-phenyl-N-[4-(1-pyrrolidinyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-phenyl-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide Traditional Name: 5-chloro-3-methyl-1-phenyl-N-(4-pyrrolidinophenyl)pyrazole-4-carboxamide Formula: C21H21ClN4O MolecularWeight: 380.87064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)N3CCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)N3CCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4O/c1-15-19(20(22)26(24-15)18-7-3-2-4-8-18)21(27)23-16-9-11-17(12-10-16)25-13-5-6-14-25/h2-4,7-12H,5-6,13-14H2,1H3,(H,23,27)