N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-5-carboxamide

Systemtic Name: N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-5-carboxamide Openeye Name: N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-5-carboxamide CAS Name: N-(1-azepanyl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-5-carboxamide IUPAC Name: N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-5-carboxamide Traditional Name: N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-pyrazoline-3-carboxamide Formula: C23H26Cl2N4O2 MolecularWeight: 461.38414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCCCC4

InChI

InChI=1S/C23H26Cl2N4O2/c1-31-18-9-6-16(7-10-18)22-15-20(23(30)27-28-12-4-2-3-5-13-28)26-29(22)21-11-8-17(24)14-19(21)25/h6-11,14,22H,2-5,12-13,15H2,1H3,(H,27,30)