N-[4-(azepan-1-ylcarbonyl)-2-(2-chlorophenyl)pyrazol-3-yl]-2-chloranyl-benzamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)-2-(2-chlorophenyl)pyrazol-3-yl]-2-chloranyl-benzamide Openeye Name: N-[4-(azepane-1-carbonyl)-2-(2-chlorophenyl)pyrazol-3-yl]-2-chloro-benzamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]-2-(2-chlorophenyl)-3-pyrazolyl]-2-chlorobenzamide IUPAC Name: N-[4-(azepane-1-carbonyl)-2-(2-chlorophenyl)pyrazol-3-yl]-2-chlorobenzamide Traditional Name: N-[4-(azepane-1-carbonyl)-2-(2-chlorophenyl)pyrazol-3-yl]-2-chloro-benzamide Formula: C23H22Cl2N4O2 MolecularWeight: 457.35238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3Cl)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3Cl)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H22Cl2N4O2/c24-18-10-4-3-9-16(18)22(30)27-21-17(23(31)28-13-7-1-2-8-14-28)15-26-29(21)20-12-6-5-11-19(20)25/h3-6,9-12,15H,1-2,7-8,13-14H2,(H,27,30)