N-[3-[[(2-azanylcyclohexyl)-ethanoyl-amino]methyl]-4-chloranyl-phenyl]pyridine-4-carboxamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-ethanoyl-amino]methyl]-4-chloranyl-phenyl]pyridine-4-carboxamide Openeye Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]pyridine-4-carboxamide CAS Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide Traditional Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]isonicotinamide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC=NC=C2)Cl)C3CCCCC3N

Isomeric SMILES

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC=NC=C2)Cl)C3CCCCC3N

InChI

InChI=1S/C21H25ClN4O2/c1-14(27)26(20-5-3-2-4-19(20)23)13-16-12-17(6-7-18(16)22)25-21(28)15-8-10-24-11-9-15/h6-12,19-20H,2-5,13,23H2,1H3,(H,25,28)