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

Systemtic Name: 4-(aminomethyl)-N-[1-oxidanylidene-3-(3-phenoxyphenyl)-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-(aminomethyl)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-2-(4-pyridylamino)ethyl]cyclohexanecarboxamide CAS Name: 4-(aminomethyl)-N-[1-oxo-3-(3-phenoxyphenyl)-1-(pyridin-4-ylamino)propan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-(aminomethyl)-N-[1-oxo-3-(3-phenoxyphenyl)-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-(aminomethyl)-N-[2-keto-1-(3-phenoxybenzyl)-2-(4-pyridylamino)ethyl]cyclohexanecarboxamide Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NC4=CC=NC=C4

Isomeric SMILES

C1CC(CCC1CN)C(=O)NC(CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NC4=CC=NC=C4

InChI

InChI=1S/C28H32N4O3/c29-19-20-9-11-22(12-10-20)27(33)32-26(28(34)31-23-13-15-30-16-14-23)18-21-5-4-8-25(17-21)35-24-6-2-1-3-7-24/h1-8,13-17,20,22,26H,9-12,18-19,29H2,(H,32,33)(H,30,31,34)