2-(1-adamantyl)-N-[5-chloranyl-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]pyridine-4-carboxamide

Systemtic Name: 2-(1-adamantyl)-N-[5-chloranyl-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]pyridine-4-carboxamide Openeye Name: 2-(1-adamantyl)-N-[5-chloro-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]pyridine-4-carboxamide CAS Name: 2-(1-adamantyl)-N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-4-pyridinecarboxamide IUPAC Name: 2-(1-adamantyl)-N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]pyridine-4-carboxamide Traditional Name: 2-(1-adamantyl)-N-[5-chloro-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]isonicotinamide Formula: C31H29Cl2N3O MolecularWeight: 530.48746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4)Cl)C(C#N)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4)Cl)C(C#N)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C31H29Cl2N3O/c1-18-8-25(26(17-34)22-2-4-24(32)5-3-22)27(33)13-28(18)36-30(37)23-6-7-35-29(12-23)31-14-19-9-20(15-31)11-21(10-19)16-31/h2-8,12-13,19-21,26H,9-11,14-16H2,1H3,(H,36,37)