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

Systemtic Name: 3-[2-(1-adamantyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-3-yl]-2-chloranyl-7-methyl-quinoline Openeye Name: 3-[2-(1-adamantyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-3-yl]-2-chloro-7-methyl-quinoline CAS Name: 3-[2-(1-adamantyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-3-yl]-2-chloro-7-methylquinoline IUPAC Name: 3-[2-(1-adamantyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-3-yl]-2-chloro-7-methylquinoline Traditional Name: 3-[2-(1-adamantyl)-5-(4-bromophenyl)-2-pyrazolin-3-yl]-2-chloro-7-methyl-quinoline Formula: C29H29BrClN3 MolecularWeight: 534.91766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C45CC6CC(C4)CC(C6)C5)C7=CC=C(C=C7)Br)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C45CC6CC(C4)CC(C6)C5)C7=CC=C(C=C7)Br)Cl

InChI

InChI=1S/C29H29BrClN3/c1-17-2-3-22-12-24(28(31)32-25(22)8-17)27-13-26(21-4-6-23(30)7-5-21)33-34(27)29-14-18-9-19(15-29)11-20(10-18)16-29/h2-8,12,18-20,27H,9-11,13-16H2,1H3