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

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]morpholine-4-carboxamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]morpholine-4-carboxamide CAS Name: N-[4-[[(2-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-4-morpholinecarboxamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]morpholine-4-carboxamide Traditional Name: N-[4-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]morpholine-4-carboxamide Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)N3CCOCC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)N3CCOCC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H31N5O3/c27-17-19-5-9-21(10-6-19)25(32)31(24-4-2-1-3-23(24)28)18-20-7-11-22(12-8-20)29-26(33)30-13-15-34-16-14-30/h5-12,23-24H,1-4,13-16,18,28H2,(H,29,33)