1-adamantyl-[(3S)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone

Systemtic Name: 1-adamantyl-[(3S)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone Openeye Name: 1-adamantyl-[(3S)-5-(4-bromophenyl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]methanone CAS Name: 1-adamantyl-[(3S)-5-(4-bromophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]methanone IUPAC Name: 1-adamantyl-[(3S)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone Traditional Name: 1-adamantyl-[(5S)-3-(4-bromophenyl)-5-(2-furyl)-2-pyrazolin-1-yl]methanone Formula: C24H25BrN2O2 MolecularWeight: 453.3715

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N4C(CC(=N4)C5=CC=C(C=C5)Br)C6=CC=CO6

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=C(C=C2)Br)C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CO6

InChI

InChI=1S/C24H25BrN2O2/c25-19-5-3-18(4-6-19)20-11-21(22-2-1-7-29-22)27(26-20)23(28)24-12-15-8-16(13-24)10-17(9-15)14-24/h1-7,15-17,21H,8-14H2/t15?,16?,17?,21-,24?/m0/s1