3-[4-[(4-chlorophenyl)methyl]-1-oxidanylidene-phthalazin-2-yl]-7-(methylamino)heptanoic acid

Systemtic Name: 3-[4-[(4-chlorophenyl)methyl]-1-oxidanylidene-phthalazin-2-yl]-7-(methylamino)heptanoic acid Openeye Name: 3-[4-[(4-chlorophenyl)methyl]-1-oxo-phthalazin-2-yl]-7-(methylamino)heptanoic acid CAS Name: 3-[4-[(4-chlorophenyl)methyl]-1-oxo-2-phthalazinyl]-7-(methylamino)heptanoic acid IUPAC Name: 3-[4-[(4-chlorophenyl)methyl]-1-oxophthalazin-2-yl]-7-(methylamino)heptanoic acid Traditional Name: 3-[4-(4-chlorobenzyl)-1-keto-phthalazin-2-yl]-7-(methylamino)enanthic acid Formula: C23H26ClN3O3 MolecularWeight: 427.92384

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCC(CC(=O)O)N1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CNCCCCC(CC(=O)O)N1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClN3O3/c1-25-13-5-4-6-18(15-22(28)29)27-23(30)20-8-3-2-7-19(20)21(26-27)14-16-9-11-17(24)12-10-16/h2-3,7-12,18,25H,4-6,13-15H2,1H3,(H,28,29)