N-[[3-(aminomethyl)phenyl]methyl]-3-oxidanylidene-2-phenyl-1-pyridin-4-ylcarbonyl-2,4-dihydroquinoxaline-6-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-3-oxidanylidene-2-phenyl-1-pyridin-4-ylcarbonyl-2,4-dihydroquinoxaline-6-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-3-oxo-2-phenyl-1-(pyridine-4-carbonyl)-2,4-dihydroquinoxaline-6-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-3-oxo-1-[oxo(pyridin-4-yl)methyl]-2-phenyl-2,4-dihydroquinoxaline-6-carboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-3-oxo-2-phenyl-1-(pyridine-4-carbonyl)-2,4-dihydroquinoxaline-6-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-isonicotinoyl-3-keto-2-phenyl-2,4-dihydroquinoxaline-6-carboxamide Formula: C29H25N5O3 MolecularWeight: 491.5405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)NC3=C(N2C(=O)C4=CC=NC=C4)C=CC(=C3)C(=O)NCC5=CC=CC(=C5)CN

Isomeric SMILES

C1=CC=C(C=C1)C2C(=O)NC3=C(N2C(=O)C4=CC=NC=C4)C=CC(=C3)C(=O)NCC5=CC=CC(=C5)CN

InChI

InChI=1S/C29H25N5O3/c30-17-19-5-4-6-20(15-19)18-32-27(35)23-9-10-25-24(16-23)33-28(36)26(21-7-2-1-3-8-21)34(25)29(37)22-11-13-31-14-12-22/h1-16,26H,17-18,30H2,(H,32,35)(H,33,36)