1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-methyl-phthalazin-1-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-methyl-phthalazin-1-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-methyl-phthalazin-1-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-methyl-1-phthalazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-methylphthalazin-1-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-methyl-phthalazin-1-yl]isonipecotic acid Formula: C23H25ClN4O3 MolecularWeight: 440.9226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NN=C2NCC3=CC(=C(C=C3)OC)Cl)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN=C2NCC3=CC(=C(C=C3)OC)Cl)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C23H25ClN4O3/c1-14-3-5-17-18(11-14)21(25-13-15-4-6-20(31-2)19(24)12-15)26-27-22(17)28-9-7-16(8-10-28)23(29)30/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,25,26)(H,29,30)