[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC4=C(CCC4)C=C3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H23N3O4/c1-2-12-26-22(28)19-9-4-3-8-18(19)21(25-26)23(29)30-14-20(27)24-17-11-10-15-6-5-7-16(15)13-17/h3-4,8-11,13H,2,5-7,12,14H2,1H3,(H,24,27)