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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-3-methoxy-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-3-methoxy-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-3-methoxybenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]-3-methoxybenzamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-3-methoxy-benzamide Formula: C29H29ClN4O3 MolecularWeight: 517.01856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCCCC3N)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCCCC3N)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H29ClN4O3/c1-37-24-6-4-5-21(16-24)28(35)33-23-13-14-25(30)22(15-23)18-34(27-8-3-2-7-26(27)32)29(36)20-11-9-19(17-31)10-12-20/h4-6,9-16,26-27H,2-3,7-8,18,32H2,1H3,(H,33,35)