N-[3-[[(2-azanylcyclohexyl)-(4-methoxyphenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-4-cyano-benzamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(4-methoxyphenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-4-cyano-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[(4-methoxyphenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-4-cyanobenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]-4-cyanobenzamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-p-anisoyl-amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide Formula: C29H29ClN4O3 MolecularWeight: 517.01856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl)C4CCCCC4N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl)C4CCCCC4N

InChI

InChI=1S/C29H29ClN4O3/c1-37-24-13-10-21(11-14-24)29(36)34(27-5-3-2-4-26(27)32)18-22-16-23(12-15-25(22)30)33-28(35)20-8-6-19(17-31)7-9-20/h6-16,26-27H,2-5,18,32H2,1H3,(H,33,35)