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

Systemtic Name: 4-(aminomethyl)-N-[1-oxidanylidene-3-(4-phenylmethoxyphenyl)-1-(pyridin-3-ylamino)propan-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-(aminomethyl)-N-[1-[(4-benzyloxyphenyl)methyl]-2-oxo-2-(3-pyridylamino)ethyl]cyclohexanecarboxamide CAS Name: 4-(aminomethyl)-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(3-pyridinylamino)propan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-(aminomethyl)-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(pyridin-3-ylamino)propan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-(aminomethyl)-N-[1-(4-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=C(C=C2)OCC3=CC=CC=C3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

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

InChI

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