tert-butyl N-[(1S)-2-methyl-1-[(3S)-2-oxidanylidene-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-5-yl]propyl]carbamate

Systemtic Name: tert-butyl N-[(1S)-2-methyl-1-[(3S)-2-oxidanylidene-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-5-yl]propyl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(3S)-3-isopropyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-methyl-propyl]carbamate CAS Name: N-[(1S)-2-methyl-1-[(3S)-2-oxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-5-yl]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S)-2-methyl-1-[(3S)-2-oxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-5-yl]propyl]carbamate Traditional Name: N-[(1S)-1-[(3S)-3-isopropyl-2-keto-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N=C2C=CC=CC2=C(N1)C(C(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@H]1C(=O)N=C2C=CC=CC2=C(N1)[C@H](C(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O3/c1-12(2)16(24-20(26)27-21(5,6)7)18-14-10-8-9-11-15(14)22-19(25)17(23-18)13(3)4/h8-13,16-17,23H,1-7H3,(H,24,26)/t16-,17-/m0/s1