N-[3-[[(4-azanylcyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]-4-chloranyl-phenyl]pyridine-4-carboxamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]-4-chloranyl-phenyl]pyridine-4-carboxamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]-4-chloro-phenyl]pyridine-4-carboxamide CAS Name: N-[3-[[(4-aminocyclohexyl)-(3,3-dimethyl-1-oxobutyl)amino]methyl]-4-chlorophenyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]-4-chloro-phenyl]isonicotinamide Formula: C25H33ClN4O2 MolecularWeight: 457.00812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC=NC=C2)Cl)C3CCC(CC3)N

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC=NC=C2)Cl)C3CCC(CC3)N

InChI

InChI=1S/C25H33ClN4O2/c1-25(2,3)15-23(31)30(21-7-4-19(27)5-8-21)16-18-14-20(6-9-22(18)26)29-24(32)17-10-12-28-13-11-17/h6,9-14,19,21H,4-5,7-8,15-16,27H2,1-3H3,(H,29,32)