5-chloranyl-N-[3-(4-dimethylaminophenyl)propyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-[3-(4-dimethylaminophenyl)propyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-N-[3-(4-dimethylaminophenyl)propyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-[3-(4-dimethylaminophenyl)propyl]-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-[3-(4-dimethylaminophenyl)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-[3-(4-dimethylaminophenyl)propyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C22H25ClN4O MolecularWeight: 396.9131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCCC2=CC=C(C=C2)N(C)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCCC2=CC=C(C=C2)N(C)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H25ClN4O/c1-16-20(21(23)27(25-16)19-9-5-4-6-10-19)22(28)24-15-7-8-17-11-13-18(14-12-17)26(2)3/h4-6,9-14H,7-8,15H2,1-3H3,(H,24,28)