3-[2-(1-adamantylcarbonyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-3-yl]-6-bromanyl-4-phenyl-1H-quinolin-2-one

Systemtic Name: 3-[2-(1-adamantylcarbonyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-3-yl]-6-bromanyl-4-phenyl-1H-quinolin-2-one Openeye Name: 3-[2-(adamantane-1-carbonyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-3-yl]-6-bromo-4-phenyl-1H-quinolin-2-one CAS Name: 3-[2-[1-adamantyl(oxo)methyl]-5-(4-bromophenyl)-3,4-dihydropyrazol-3-yl]-6-bromo-4-phenyl-1H-quinolin-2-one IUPAC Name: 3-[2-(adamantane-1-carbonyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-3-yl]-6-bromo-4-phenyl-1H-quinolin-2-one Traditional Name: 3-[2-(adamantane-1-carbonyl)-5-(4-bromophenyl)-2-pyrazolin-3-yl]-6-bromo-4-phenyl-carbostyril Formula: C35H31Br2N3O2 MolecularWeight: 685.44754

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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=C(C7=C(C=CC(=C7)Br)NC6=O)C8=CC=CC=C8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N4C(CC(=N4)C5=CC=C(C=C5)Br)C6=C(C7=C(C=CC(=C7)Br)NC6=O)C8=CC=CC=C8

InChI

InChI=1S/C35H31Br2N3O2/c36-25-8-6-23(7-9-25)29-16-30(40(39-29)34(42)35-17-20-12-21(18-35)14-22(13-20)19-35)32-31(24-4-2-1-3-5-24)27-15-26(37)10-11-28(27)38-33(32)41/h1-11,15,20-22,30H,12-14,16-19H2,(H,38,41)