2-methylpropyl N-[7-bromanyl-4-ethanoyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamate

Systemtic Name: 2-methylpropyl N-[7-bromanyl-4-ethanoyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamate Openeye Name: isobutyl N-[4-acetyl-3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamate CAS Name: N-[4-acetyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[4-acetyl-3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamate Traditional Name: N-[4-acetyl-3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]carbamic acid isobutyl ester Formula: C27H32BrN5O3 MolecularWeight: 554.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1=C(C=C2CN(C(CN(C2=C1)CC3=CN=CN3)CC4=CC=CC=C4)C(=O)C)Br

Isomeric SMILES

CC(C)COC(=O)NC1=C(C=C2CN(C(CN(C2=C1)CC3=CN=CN3)CC4=CC=CC=C4)C(=O)C)Br

InChI

InChI=1S/C27H32BrN5O3/c1-18(2)16-36-27(35)31-25-11-26-21(10-24(25)28)13-33(19(3)34)23(9-20-7-5-4-6-8-20)15-32(26)14-22-12-29-17-30-22/h4-8,10-12,17-18,23H,9,13-16H2,1-3H3,(H,29,30)(H,31,35)