ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-7-chloranyl-phthalazin-1-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-7-chloranyl-phthalazin-1-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-7-chloro-phthalazin-1-yl]piperidine-4-carboxylate CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-7-chloro-1-phthalazinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-7-chlorophthalazin-1-yl]piperidine-4-carboxylate Traditional Name: 1-[7-chloro-4-(piperonylamino)phthalazin-1-yl]isonipecotic acid ethyl ester Formula: C24H25ClN4O4 MolecularWeight: 468.9327

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NN=C(C3=C2C=C(C=C3)Cl)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NN=C(C3=C2C=C(C=C3)Cl)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25ClN4O4/c1-2-31-24(30)16-7-9-29(10-8-16)23-19-12-17(25)4-5-18(19)22(27-28-23)26-13-15-3-6-20-21(11-15)33-14-32-20/h3-6,11-12,16H,2,7-10,13-14H2,1H3,(H,26,27)