(phenylmethyl) 1-(4H-quinoxalin-1-yl)-3,4,4a,5,6,7-hexahydro-2H-quinazoline-4-carboxylate

Systemtic Name: (phenylmethyl) 1-(4H-quinoxalin-1-yl)-3,4,4a,5,6,7-hexahydro-2H-quinazoline-4-carboxylate Openeye Name: benzyl 1-(4H-quinoxalin-1-yl)-3,4,4a,5,6,7-hexahydro-2H-quinazoline-4-carboxylate CAS Name: 1-(4H-quinoxalin-1-yl)-3,4,4a,5,6,7-hexahydro-2H-quinazoline-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(4H-quinoxalin-1-yl)-3,4,4a,5,6,7-hexahydro-2H-quinazoline-4-carboxylate Traditional Name: 1-(4H-quinoxalin-1-yl)-3,4,4a,5,6,7-hexahydro-2H-quinazoline-4-carboxylic acid benzyl ester Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C2C(C1)C(NCN2N3C=CNC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CC=C2C(C1)C(NCN2N3C=CNC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C24H26N4O2/c29-24(30-16-18-8-2-1-3-9-18)23-19-10-4-6-12-21(19)28(17-26-23)27-15-14-25-20-11-5-7-13-22(20)27/h1-3,5,7-9,11-15,19,23,25-26H,4,6,10,16-17H2