diethyl 2-(2,4-diphenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)propanedioate

Systemtic Name: diethyl 2-(2,4-diphenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)propanedioate Openeye Name: diethyl 2-(2,4-diphenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)propanedioate CAS Name: 2-(2,4-diphenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2,4-diphenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)propanedioate Traditional Name: 2-(2,4-diphenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)malonic acid diethyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1C(NC2=CC=CC=C2NC1C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1C(NC2=CC=CC=C2NC1C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C28H30N2O4/c1-3-33-27(31)24(28(32)34-4-2)23-25(19-13-7-5-8-14-19)29-21-17-11-12-18-22(21)30-26(23)20-15-9-6-10-16-20/h5-18,23-26,29-30H,3-4H2,1-2H3