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

Systemtic Name: 3-[7-(5-azanylpentyl)-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoic acid Openeye Name: 3-[7-(5-aminopentyl)-1-(4-chlorophenyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid CAS Name: 3-[7-(5-aminopentyl)-1-(4-chlorophenyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid IUPAC Name: 3-[7-(5-aminopentyl)-1-(4-chlorophenyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid Traditional Name: 3-[7-(5-aminopentyl)-1-(4-chlorophenyl)-2,5-diketo-3H-1,4-benzodiazepin-4-yl]propionic acid Formula: C23H26ClN3O4 MolecularWeight: 443.92324

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)CCCCCN)C(=O)N1CCC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)CCCCCN)C(=O)N1CCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClN3O4/c24-17-6-8-18(9-7-17)27-20-10-5-16(4-2-1-3-12-25)14-19(20)23(31)26(15-21(27)28)13-11-22(29)30/h5-10,14H,1-4,11-13,15,25H2,(H,29,30)