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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C23H25ClN4O MolecularWeight: 408.9238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O/c1-17-21(22(24)28(26-17)20-9-5-4-6-10-20)23(29)25-18-11-13-19(14-12-18)27-15-7-2-3-8-16-27/h4-6,9-14H,2-3,7-8,15-16H2,1H3,(H,25,29)