tert-butyl 4-[(3S)-2-oxidanylidene-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3S)-2-oxidanylidene-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3S)-3-(benzyloxymethyl)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-8-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-2-oxo-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-8-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3S)-2-oxo-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-3-(benzoxymethyl)-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C32H36N4O4 MolecularWeight: 540.65264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=NC(C(=O)N3)COCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=N[C@H](C(=O)N3)COCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H36N4O4/c1-32(2,3)40-31(38)36-18-16-35(17-19-36)25-14-15-26-27(20-25)34-30(37)28(22-39-21-23-10-6-4-7-11-23)33-29(26)24-12-8-5-9-13-24/h4-15,20,28H,16-19,21-22H2,1-3H3,(H,34,37)/t28-/m0/s1