methyl N-[4-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]carbamate

Systemtic Name: methyl N-[4-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]carbamate Openeye Name: methyl N-[4-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]carbamate CAS Name: N-[4-[[(2-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]carbamate Traditional Name: N-[4-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]carbamic acid methyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC=C(C=C1)CN(C2CCCCC2N)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)NC1=CC=C(C=C1)CN(C2CCCCC2N)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H26N4O3/c1-30-23(29)26-19-12-8-17(9-13-19)15-27(21-5-3-2-4-20(21)25)22(28)18-10-6-16(14-24)7-11-18/h6-13,20-21H,2-5,15,25H2,1H3,(H,26,29)