2-[7-[(1H-benzimidazol-2-ylmethylamino)methyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[7-[(1H-benzimidazol-2-ylmethylamino)methyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[7-[(1H-benzimidazol-2-ylmethylamino)methyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[7-[(1H-benzimidazol-2-ylmethylamino)methyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[7-[(1H-benzimidazol-2-ylmethylamino)methyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[7-[(1H-benzimidazol-2-ylmethylamino)methyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)CNCC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)CNCC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)O

InChI

InChI=1S/C21H23N5O3/c1-26-12-14-8-13(6-7-15(14)23-18(21(26)29)9-20(27)28)10-22-11-19-24-16-4-2-3-5-17(16)25-19/h2-8,18,22-23H,9-12H2,1H3,(H,24,25)(H,27,28)