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

Systemtic Name: tert-butyl 4-[(3R)-3-[(4-hydroxyphenyl)methyl]-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3R)-3-[(4-hydroxyphenyl)methyl]-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate CAS Name: 4-[(3R)-3-[(4-hydroxyphenyl)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-[(4-hydroxyphenyl)methyl]-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate Traditional Name: 4-[(3R)-3-(4-hydroxybenzyl)-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C31H34N4O4 MolecularWeight: 526.62606

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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)CC5=CC=C(C=C5)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2NC(=O)[C@H](N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)O

InChI

InChI=1S/C31H34N4O4/c1-31(2,3)39-30(38)35-18-16-34(17-19-35)26-11-7-10-24-27(22-8-5-4-6-9-22)32-25(29(37)33-28(24)26)20-21-12-14-23(36)15-13-21/h4-15,25,36H,16-20H2,1-3H3,(H,33,37)/t25-/m1/s1