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

Systemtic Name: 3-[7-(5-azanylpentyl)-1-methyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]butanoic acid Openeye Name: 3-[7-(5-aminopentyl)-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoic acid CAS Name: 3-[7-(5-aminopentyl)-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoic acid IUPAC Name: 3-[7-(5-aminopentyl)-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoic acid Traditional Name: 3-[7-(5-aminopentyl)-2,5-diketo-1-methyl-3H-1,4-benzodiazepin-4-yl]butyric acid Formula: C19H27N3O4 MolecularWeight: 361.43538

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-13(10-18(24)25)22-12-17(23)21(2)16-8-7-14(6-4-3-5-9-20)11-15(16)19(22)26/h7-8,11,13H,3-6,9-10,12,20H2,1-2H3,(H,24,25)