N-[4-(azepan-1-yl)phenyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C24H27ClN4O MolecularWeight: 422.95038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)N3CCCCCC3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)N3CCCCCC3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H27ClN4O/c1-18-22(23(25)29(27-18)17-19-9-5-4-6-10-19)24(30)26-20-11-13-21(14-12-20)28-15-7-2-3-8-16-28/h4-6,9-14H,2-3,7-8,15-17H2,1H3,(H,26,30)