(phenylmethyl) 2-[4-(oxidanylidenemethylidene)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[4-(oxidanylidenemethylidene)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[4-(oxomethylene)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]pyrrolidine-1-carboxylate CAS Name: 2-[4-(oxomethylidene)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(oxomethylidene)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-(ketomethylene)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)N3C(=C=O)CCNC4=CC=CC=C43

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)N3C(=C=O)CCNC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O3/c26-15-18-12-13-23-19-9-4-5-10-20(19)25(18)21-11-6-14-24(21)22(27)28-16-17-7-2-1-3-8-17/h1-5,7-10,21,23H,6,11-14,16H2