9-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-7-yl)amino]-2,9-bis(oxidanylidene)nonanoic acid

Systemtic Name: 9-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-7-yl)amino]-2,9-bis(oxidanylidene)nonanoic acid Openeye Name: 9-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-7-yl)amino]-2,9-dioxo-nonanoic acid CAS Name: 9-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-7-yl)amino]-2,9-dioxononanoic acid IUPAC Name: 9-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-7-yl)amino]-2,9-dioxononanoic acid Traditional Name: 2,9-diketo-9-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-7-yl)amino]pelargonic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)NC(=O)CCCCCCC(=O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)NC(=O)CCCCCCC(=O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O5/c1-28-20-14-13-18(27-22(30)12-8-3-2-7-11-21(29)25(32)33)15-19(20)24(26-16-23(28)31)17-9-5-4-6-10-17/h4-6,9-10,13-15H,2-3,7-8,11-12,16H2,1H3,(H,27,30)(H,32,33)