3-[(5R)-1-(1-adamantylcarbonyl)-5-phenyl-pyrazolidin-3-ylidene]-6-chloranyl-4-phenyl-quinolin-2-one

Systemtic Name: 3-[(5R)-1-(1-adamantylcarbonyl)-5-phenyl-pyrazolidin-3-ylidene]-6-chloranyl-4-phenyl-quinolin-2-one Openeye Name: 3-[(5R)-1-(adamantane-1-carbonyl)-5-phenyl-pyrazolidin-3-ylidene]-6-chloro-4-phenyl-quinolin-2-one CAS Name: 3-[(5R)-1-[1-adamantyl(oxo)methyl]-5-phenyl-3-pyrazolidinylidene]-6-chloro-4-phenyl-2-quinolinone IUPAC Name: 3-[(5R)-1-(adamantane-1-carbonyl)-5-phenylpyrazolidin-3-ylidene]-6-chloro-4-phenylquinolin-2-one Traditional Name: 3-[(5R)-1-(adamantane-1-carbonyl)-5-phenyl-pyrazolidin-3-ylidene]-6-chloro-4-phenyl-carbostyril Formula: C35H32ClN3O2 MolecularWeight: 562.10048

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N4C(CC(=C5C(=C6C=C(C=CC6=NC5=O)Cl)C7=CC=CC=C7)N4)C8=CC=CC=C8

Isomeric SMILES

C1[C@@H](N(NC1=C2C(=C3C=C(C=CC3=NC2=O)Cl)C4=CC=CC=C4)C(=O)C56CC7CC(C5)CC(C7)C6)C8=CC=CC=C8

InChI

InChI=1S/C35H32ClN3O2/c36-26-11-12-28-27(16-26)31(25-9-5-2-6-10-25)32(33(40)37-28)29-17-30(24-7-3-1-4-8-24)39(38-29)34(41)35-18-21-13-22(19-35)15-23(14-21)20-35/h1-12,16,21-23,30,38H,13-15,17-20H2/t21?,22?,23?,30-,35?/m1/s1