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

Systemtic Name: 4-(aminomethyl)-N-[3-(3-hydroxyphenyl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-(aminomethyl)-N-[1-[(3-hydroxyphenyl)methyl]-2-oxo-2-(4-pyridylamino)ethyl]cyclohexanecarboxamide CAS Name: 4-(aminomethyl)-N-[3-(3-hydroxyphenyl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-(aminomethyl)-N-[3-(3-hydroxyphenyl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-(aminomethyl)-N-[1-(3-hydroxybenzyl)-2-keto-2-(4-pyridylamino)ethyl]cyclohexanecarboxamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC(=CC=C2)O)C(=O)NC3=CC=NC=C3

Isomeric SMILES

C1CC(CCC1CN)C(=O)NC(CC2=CC(=CC=C2)O)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C22H28N4O3/c23-14-15-4-6-17(7-5-15)21(28)26-20(13-16-2-1-3-19(27)12-16)22(29)25-18-8-10-24-11-9-18/h1-3,8-12,15,17,20,27H,4-7,13-14,23H2,(H,26,28)(H,24,25,29)