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

Systemtic Name: tert-butyl 4-[(3S)-3-(hydroxymethyl)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3S)-3-(hydroxymethyl)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-3-(hydroxymethyl)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3S)-3-(hydroxymethyl)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-2-keto-3-methylol-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2NC(=O)C(N=C3C4=CC=CC=C4)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2NC(=O)[C@@H](N=C3C4=CC=CC=C4)CO

InChI

InChI=1S/C25H30N4O4/c1-25(2,3)33-24(32)29-14-12-28(13-15-29)20-11-7-10-18-21(17-8-5-4-6-9-17)26-19(16-30)23(31)27-22(18)20/h4-11,19,30H,12-16H2,1-3H3,(H,27,31)/t19-/m0/s1