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

Systemtic Name: azepan-1-yl-[3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methanone Openeye Name: azepan-1-yl-[3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methanone CAS Name: 1-azepanyl-[3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methanone IUPAC Name: azepan-1-yl-[3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methanone Traditional Name: azepan-1-yl-[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-2-pyrazolin-3-yl]methanone Formula: C22H22BrCl2N3O MolecularWeight: 495.23958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrCl2N3O/c23-16-7-5-15(6-8-16)21-14-19(22(29)27-11-3-1-2-4-12-27)26-28(21)20-10-9-17(24)13-18(20)25/h5-10,13,21H,1-4,11-12,14H2