ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-phthalazin-1-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-phthalazin-1-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-phthalazin-1-yl]piperidine-4-carboxylate CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-1-phthalazinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chlorophthalazin-1-yl]piperidine-4-carboxylate Traditional Name: 1-[6-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=CC(=C3)Cl)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O4/c1-2-31-24(30)16-7-9-29(10-8-16)23-18-5-4-17(25)12-19(18)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)