4-(aminomethyl)-N-[1-[6-(2-oxidanyl-4-oxidanylidene-1H-quinolin-6-yl)pyrimidin-4-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[1-[6-(2-oxidanyl-4-oxidanylidene-1H-quinolin-6-yl)pyrimidin-4-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide Openeye Name: 4-(aminomethyl)-N-[1-[6-(2-hydroxy-4-oxo-1H-quinolin-6-yl)pyrimidin-4-yl]-2-phenyl-ethyl]cyclohexanecarboxamide CAS Name: 4-(aminomethyl)-N-[1-[6-(2-hydroxy-4-oxo-1H-quinolin-6-yl)-4-pyrimidinyl]-2-phenylethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-(aminomethyl)-N-[1-[6-(2-hydroxy-4-oxo-1H-quinolin-6-yl)pyrimidin-4-yl]-2-phenylethyl]cyclohexane-1-carboxamide Traditional Name: 4-(aminomethyl)-N-[1-[6-(2-hydroxy-4-keto-1H-quinolin-6-yl)pyrimidin-4-yl]-2-phenyl-ethyl]cyclohexanecarboxamide Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C3=NC=NC(=C3)C4=CC5=C(C=C4)NC(=CC5=O)O

Isomeric SMILES

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C3=NC=NC(=C3)C4=CC5=C(C=C4)NC(=CC5=O)O

InChI

InChI=1S/C29H31N5O3/c30-16-19-6-8-20(9-7-19)29(37)34-26(12-18-4-2-1-3-5-18)25-14-24(31-17-32-25)21-10-11-23-22(13-21)27(35)15-28(36)33-23/h1-5,10-11,13-15,17,19-20,26H,6-9,12,16,30H2,(H,34,37)(H2,33,35,36)