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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-4-cyano-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-4-cyanobenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]-4-cyanobenzamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide Formula: C29H26ClN5O2 MolecularWeight: 512.00204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H26ClN5O2/c30-25-14-13-24(34-28(36)21-9-5-19(16-31)6-10-21)15-23(25)18-35(27-4-2-1-3-26(27)33)29(37)22-11-7-20(17-32)8-12-22/h5-15,26-27H,1-4,18,33H2,(H,34,36)