(3S)-5-(4-bromophenyl)-N-cyclohexyl-3-(2-hydroxyphenyl)-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: (3S)-5-(4-bromophenyl)-N-cyclohexyl-3-(2-hydroxyphenyl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: (3S)-5-(4-bromophenyl)-N-cyclohexyl-3-(2-hydroxyphenyl)-3,4-dihydropyrazole-2-carboxamide CAS Name: (3S)-5-(4-bromophenyl)-N-cyclohexyl-3-(2-hydroxyphenyl)-3,4-dihydropyrazole-2-carboxamide IUPAC Name: (3S)-5-(4-bromophenyl)-N-cyclohexyl-3-(2-hydroxyphenyl)-3,4-dihydropyrazole-2-carboxamide Traditional Name: (5S)-3-(4-bromophenyl)-N-cyclohexyl-5-(2-hydroxyphenyl)-2-pyrazoline-1-carboxamide Formula: C22H24BrN3O2 MolecularWeight: 442.34886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4O

Isomeric SMILES

C1CCC(CC1)NC(=O)N2[C@@H](CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4O

InChI

InChI=1S/C22H24BrN3O2/c23-16-12-10-15(11-13-16)19-14-20(18-8-4-5-9-21(18)27)26(25-19)22(28)24-17-6-2-1-3-7-17/h4-5,8-13,17,20,27H,1-3,6-7,14H2,(H,24,28)/t20-/m0/s1