(2R,3S)-2-(1-adamantylcarbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile

Systemtic Name: (2R,3S)-2-(1-adamantylcarbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile Openeye Name: (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile CAS Name: (2R,3S)-2-[1-adamantyl(oxo)methyl]-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile IUPAC Name: (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile Traditional Name: (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile Formula: C22H21ClN2O MolecularWeight: 364.86794

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C4(C#N)C#N)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)[C@@H]4[C@H](C4(C#N)C#N)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C22H21ClN2O/c23-17-3-1-2-16(7-17)18-19(22(18,11-24)12-25)20(26)21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,7,13-15,18-19H,4-6,8-10H2/t13?,14?,15?,18-,19+,21?/m1/s1