azepan-1-yl-[2-(2,4-dichlorophenyl)-3-(4-iodophenyl)-3,4-dihydropyrazol-5-yl]methanone

Systemtic Name: azepan-1-yl-[2-(2,4-dichlorophenyl)-3-(4-iodophenyl)-3,4-dihydropyrazol-5-yl]methanone Openeye Name: azepan-1-yl-[2-(2,4-dichlorophenyl)-3-(4-iodophenyl)-3,4-dihydropyrazol-5-yl]methanone CAS Name: 1-azepanyl-[2-(2,4-dichlorophenyl)-3-(4-iodophenyl)-3,4-dihydropyrazol-5-yl]methanone IUPAC Name: azepan-1-yl-[2-(2,4-dichlorophenyl)-3-(4-iodophenyl)-3,4-dihydropyrazol-5-yl]methanone Traditional Name: azepan-1-yl-[1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-2-pyrazolin-3-yl]methanone Formula: C22H22Cl2IN3O MolecularWeight: 542.24005

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=NN(C(C2)C3=CC=C(C=C3)I)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=NN(C(C2)C3=CC=C(C=C3)I)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H22Cl2IN3O/c23-16-7-10-20(18(24)13-16)28-21(15-5-8-17(25)9-6-15)14-19(26-28)22(29)27-11-3-1-2-4-12-27/h5-10,13,21H,1-4,11-12,14H2