4-(aminomethyl)-N-[1-oxidanylidene-3-(3-phenylmethoxyphenyl)-1-(pyridin-3-ylamino)propan-2-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[1-oxidanylidene-3-(3-phenylmethoxyphenyl)-1-(pyridin-3-ylamino)propan-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-(aminomethyl)-N-[1-[(3-benzyloxyphenyl)methyl]-2-oxo-2-(3-pyridylamino)ethyl]cyclohexanecarboxamide CAS Name: 4-(aminomethyl)-N-[1-oxo-3-(3-phenylmethoxyphenyl)-1-(3-pyridinylamino)propan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-(aminomethyl)-N-[1-oxo-3-(3-phenylmethoxyphenyl)-1-(pyridin-3-ylamino)propan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-(aminomethyl)-N-[1-(3-benzoxybenzyl)-2-keto-2-(3-pyridylamino)ethyl]cyclohexanecarboxamide Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

C1CC(CCC1CN)C(=O)NC(CC2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C29H34N4O3/c30-18-21-11-13-24(14-12-21)28(34)33-27(29(35)32-25-9-5-15-31-19-25)17-23-8-4-10-26(16-23)36-20-22-6-2-1-3-7-22/h1-10,15-16,19,21,24,27H,11-14,17-18,20,30H2,(H,32,35)(H,33,34)