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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-1-butyl-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-1-butyl-5-chloro-3-methyl-4-pyrazolecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-1-butyl-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-1-butyl-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C21H29ClN4O MolecularWeight: 388.93416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NC2=CC=C(C=C2)N3CCCCCC3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NC2=CC=C(C=C2)N3CCCCCC3)Cl

InChI

InChI=1S/C21H29ClN4O/c1-3-4-15-26-20(22)19(16(2)24-26)21(27)23-17-9-11-18(12-10-17)25-13-7-5-6-8-14-25/h9-12H,3-8,13-15H2,1-2H3,(H,23,27)