methyl 4-[7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-4-oxo-butanoate CAS Name: 4-[7-bromo-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-4-oxobutanoate Traditional Name: 4-[3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-4-keto-butyric acid methyl ester Formula: C25H27BrN4O3 MolecularWeight: 511.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

COC(=O)CCC(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C25H27BrN4O3/c1-33-25(32)10-9-24(31)30-14-19-12-20(26)7-8-23(19)29(15-21-13-27-17-28-21)16-22(30)11-18-5-3-2-4-6-18/h2-8,12-13,17,22H,9-11,14-16H2,1H3,(H,27,28)