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

Systemtic Name: tert-butyl 4-[(3S)-2-oxidanylidene-5-phenyl-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3S)-3-isopropyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-2-oxo-5-phenyl-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-9-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3S)-2-oxo-5-phenyl-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-3-isopropyl-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC2=C(C=CC=C2N3CCN(CC3)C(=O)OC(C)(C)C)C(=N1)C4=CC=CC=C4

Isomeric SMILES

CC(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/C27H34N4O3/c1-18(2)22-25(32)29-24-20(23(28-22)19-10-7-6-8-11-19)12-9-13-21(24)30-14-16-31(17-15-30)26(33)34-27(3,4)5/h6-13,18,22H,14-17H2,1-5H3,(H,29,32)/t22-/m0/s1