tert-butyl 3,5-dimethyl-4-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3,5-dimethyl-4-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoyl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3,5-dimethyl-4-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]methyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3,5-dimethyl-4-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H29N5O4/c1-13-17(14(2)26-18(13)22(31)32-23(3,4)5)21(30)25-12-8-11-24-19-15-9-6-7-10-16(15)20(29)28-27-19/h6-7,9-10,26H,8,11-12H2,1-5H3,(H,24,27)(H,25,30)(H,28,29)