5-chloranyl-3-methyl-1-phenyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-phenyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-1-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-phenyl-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-phenyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-3-methyl-1-phenyl-N-[(6-pyrrolidino-3-pyridyl)methyl]pyrazole-4-carboxamide Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=CN=C(C=C2)N3CCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=CN=C(C=C2)N3CCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN5O/c1-15-19(20(22)27(25-15)17-7-3-2-4-8-17)21(28)24-14-16-9-10-18(23-13-16)26-11-5-6-12-26/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,24,28)