4-cyclopropyl-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxidanylidene-5-(2-pyridin-3-ylethylcarbamoylamino)pyridin-3-yl]phenyl]benzamide

Systemtic Name: 4-cyclopropyl-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxidanylidene-5-(2-pyridin-3-ylethylcarbamoylamino)pyridin-3-yl]phenyl]benzamide Openeye Name: 4-cyclopropyl-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-[2-(3-pyridyl)ethylcarbamoylamino]-3-pyridyl]phenyl]benzamide CAS Name: 4-cyclopropyl-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-[[oxo-[2-(3-pyridinyl)ethylamino]methyl]amino]-3-pyridinyl]phenyl]benzamide IUPAC Name: 4-cyclopropyl-N-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(2-pyridin-3-ylethylcarbamoylamino)pyridin-3-yl]phenyl]benzamide Traditional Name: 4-cyclopropyl-N-[3-[6-keto-1-methyl-5-[2-(3-pyridyl)ethylcarbamoylamino]-3-pyridyl]-2-methylol-phenyl]benzamide Formula: C31H31N5O4 MolecularWeight: 537.60894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C(C1=O)NC(=O)NCCC2=CN=CC=C2)C3=C(C(=CC=C3)NC(=O)C4=CC=C(C=C4)C5CC5)CO

Isomeric SMILES

CN1C=C(C=C(C1=O)NC(=O)NCCC2=CN=CC=C2)C3=C(C(=CC=C3)NC(=O)C4=CC=C(C=C4)C5CC5)CO

InChI

InChI=1S/C31H31N5O4/c1-36-18-24(16-28(30(36)39)35-31(40)33-15-13-20-4-3-14-32-17-20)25-5-2-6-27(26(25)19-37)34-29(38)23-11-9-22(10-12-23)21-7-8-21/h2-6,9-12,14,16-18,21,37H,7-8,13,15,19H2,1H3,(H,34,38)(H2,33,35,40)