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

Systemtic Name: 3-[7-(5-azanylpentyl)-1-methyl-2,5-bis(oxidanylidene)-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid Openeye Name: 3-[7-(5-aminopentyl)-1-methyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid CAS Name: 3-[7-(5-aminopentyl)-1-methyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid IUPAC Name: 3-[7-(5-aminopentyl)-1-methyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid Traditional Name: 3-[7-(5-aminopentyl)-2,5-diketo-1-methyl-3-phenyl-3H-1,4-benzodiazepin-4-yl]butyric acid Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCN)C)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)O)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCN)C)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O4/c1-17(15-22(29)30)28-23(19-10-6-3-7-11-19)25(32)27(2)21-13-12-18(9-5-4-8-14-26)16-20(21)24(28)31/h3,6-7,10-13,16-17,23H,4-5,8-9,14-15,26H2,1-2H3,(H,29,30)