1-adamantyl-[(3R)-5-(4-bromophenyl)-3-(2-chloranyl-7-methyl-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]methanone

Systemtic Name: 1-adamantyl-[(3R)-5-(4-bromophenyl)-3-(2-chloranyl-7-methyl-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]methanone Openeye Name: 1-adamantyl-[(3R)-5-(4-bromophenyl)-3-(2-chloro-7-methyl-3-quinolyl)-3,4-dihydropyrazol-2-yl]methanone CAS Name: 1-adamantyl-[(3R)-5-(4-bromophenyl)-3-(2-chloro-7-methyl-3-quinolinyl)-3,4-dihydropyrazol-2-yl]methanone IUPAC Name: 1-adamantyl-[(3R)-5-(4-bromophenyl)-3-(2-chloro-7-methylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]methanone Traditional Name: 1-adamantyl-[(5R)-3-(4-bromophenyl)-5-(2-chloro-7-methyl-3-quinolyl)-2-pyrazolin-1-yl]methanone Formula: C30H29BrClN3O MolecularWeight: 562.92776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)C45CC6CC(C4)CC(C6)C5)C7=CC=C(C=C7)Br)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)[C@H]3CC(=NN3C(=O)C45CC6CC(C4)CC(C6)C5)C7=CC=C(C=C7)Br)Cl

InChI

InChI=1S/C30H29BrClN3O/c1-17-2-3-22-12-24(28(32)33-25(22)8-17)27-13-26(21-4-6-23(31)7-5-21)34-35(27)29(36)30-14-18-9-19(15-30)11-20(10-18)16-30/h2-8,12,18-20,27H,9-11,13-16H2,1H3/t18?,19?,20?,27-,30?/m1/s1