(phenylmethyl) 6-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-oxidanylidene-2,4-dihydroquinoxaline-1-carboxylate

Systemtic Name: (phenylmethyl) 6-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-oxidanylidene-2,4-dihydroquinoxaline-1-carboxylate Openeye Name: benzyl 6-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxylate CAS Name: 6-[[[3-(aminomethyl)phenyl]methylamino]-oxomethyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxylate Traditional Name: 6-[[3-(aminomethyl)benzyl]carbamoyl]-3-keto-2,4-dihydroquinoxaline-1-carboxylic acid benzyl ester Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(N1C(=O)OCC3=CC=CC=C3)C=CC(=C2)C(=O)NCC4=CC=CC(=C4)CN

Isomeric SMILES

C1C(=O)NC2=C(N1C(=O)OCC3=CC=CC=C3)C=CC(=C2)C(=O)NCC4=CC=CC(=C4)CN

InChI

InChI=1S/C25H24N4O4/c26-13-18-7-4-8-19(11-18)14-27-24(31)20-9-10-22-21(12-20)28-23(30)15-29(22)25(32)33-16-17-5-2-1-3-6-17/h1-12H,13-16,26H2,(H,27,31)(H,28,30)