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2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name:2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate
Openeye Name:2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate
CAS Name:2-[7-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate
IUPAC Name:2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate
Traditional Name:2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate
Formula: C28H26N5O4-
MolecularWeight: 496.53714
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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)NC(C(=O)N1CCC5=CC=CC=C5)CC(=O)[O-]


Isomeric SMILES

C1C2=C(C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)NC(C(=O)N1CCC5=CC=CC=C5)CC(=O)[O-]


InChI

InChI=1S/C28H27N5O4/c34-26(35)15-24-28(37)33(13-12-18-6-2-1-3-7-18)17-20-14-19(10-11-21(20)30-24)27(36)29-16-25-31-22-8-4-5-9-23(22)32-25/h1-11,14,24,30H,12-13,15-17H2,(H,29,36)(H,31,32)(H,34,35)/p-1


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