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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-ethanoyl-amino]methyl]-4-chloranyl-phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]pyridine-3-carboxamide Traditional Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]nicotinamide 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=CN=CC=C2)Cl)C3CCCCC3N

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O2/c1-14(27)26(20-7-3-2-6-19(20)23)13-16-11-17(8-9-18(16)22)25-21(28)15-5-4-10-24-12-15/h4-5,8-12,19-20H,2-3,6-7,13,23H2,1H3,(H,25,28)