2-[(3R)-5-(bromomethyl)-3-[(3-methoxyphenyl)carbamoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-ethanamide

Systemtic Name: 2-[(3R)-5-(bromomethyl)-3-[(3-methoxyphenyl)carbamoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[(3R)-5-(bromomethyl)-3-[(3-methoxyphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[(3R)-5-(bromomethyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[(3R)-5-(bromomethyl)-3-[(3-methoxyphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[(3R)-5-(bromomethyl)-2-keto-3-[(3-methoxyphenyl)carbamoylamino]-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenyl-acetamide Formula: C27H26BrN5O4 MolecularWeight: 564.43044

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC(=CC=C4)OC)CBr

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3C(=N[C@H](C2=O)NC(=O)NC4=CC(=CC=C4)OC)CBr

InChI

InChI=1S/C27H26BrN5O4/c1-32(19-10-4-3-5-11-19)24(34)17-33-23-14-7-6-13-21(23)22(16-28)30-25(26(33)35)31-27(36)29-18-9-8-12-20(15-18)37-2/h3-15,25H,16-17H2,1-2H3,(H2,29,31,36)/t25-/m0/s1