3-[7-(5-azanylpentyl)-2,5-bis(oxidanylidene)-1-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid

Systemtic Name: 3-[7-(5-azanylpentyl)-2,5-bis(oxidanylidene)-1-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid Openeye Name: 3-[7-(5-aminopentyl)-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid CAS Name: 3-[7-(5-aminopentyl)-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid IUPAC Name: 3-[7-(5-aminopentyl)-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid Traditional Name: 3-[7-(5-aminopentyl)-2,5-diketo-1-phenyl-3H-1,4-benzodiazepin-4-yl]butyric acid Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCN)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)O)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCN)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4/c1-17(14-23(29)30)26-16-22(28)27(19-9-5-2-6-10-19)21-12-11-18(8-4-3-7-13-25)15-20(21)24(26)31/h2,5-6,9-12,15,17H,3-4,7-8,13-14,16,25H2,1H3,(H,29,30)