(3S)-7-bromanyl-5-(3-methoxyphenyl)-2-oxidanylidene-3-(phenylmethyl)-3H-1,4-benzodiazepine-1-carboxamide

Systemtic Name: (3S)-7-bromanyl-5-(3-methoxyphenyl)-2-oxidanylidene-3-(phenylmethyl)-3H-1,4-benzodiazepine-1-carboxamide Openeye Name: (3S)-3-benzyl-7-bromo-5-(3-methoxyphenyl)-2-oxo-3H-1,4-benzodiazepine-1-carboxamide CAS Name: (3S)-7-bromo-5-(3-methoxyphenyl)-2-oxo-3-(phenylmethyl)-3H-1,4-benzodiazepine-1-carboxamide IUPAC Name: (3S)-3-benzyl-7-bromo-5-(3-methoxyphenyl)-2-oxo-3H-1,4-benzodiazepine-1-carboxamide Traditional Name: (3S)-3-benzyl-7-bromo-2-keto-5-(3-methoxyphenyl)-3H-1,4-benzodiazepine-1-carboxamide Formula: C24H20BrN3O3 MolecularWeight: 478.3379

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Br)C(=O)N)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=N[C@H](C(=O)N(C3=C2C=C(C=C3)Br)C(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C24H20BrN3O3/c1-31-18-9-5-8-16(13-18)22-19-14-17(25)10-11-21(19)28(24(26)30)23(29)20(27-22)12-15-6-3-2-4-7-15/h2-11,13-14,20H,12H2,1H3,(H2,26,30)/t20-/m0/s1