tert-butyl 4-[(3R)-3-methyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3R)-3-methyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3R)-3-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate CAS Name: 4-[(3R)-3-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3R)-3-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate Traditional Name: 4-[(3R)-2-keto-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(C=CC=C2N3CCN(CC3)C(=O)OC(C)(C)C)C(=N1)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1C(=O)NC2=C(C=CC=C2N3CCN(CC3)C(=O)OC(C)(C)C)C(=N1)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3/c1-17-23(30)27-22-19(21(26-17)18-9-6-5-7-10-18)11-8-12-20(22)28-13-15-29(16-14-28)24(31)32-25(2,3)4/h5-12,17H,13-16H2,1-4H3,(H,27,30)/t17-/m1/s1