dipropan-2-yl 3-(4-chlorophenyl)carbonylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate

Systemtic Name: dipropan-2-yl 3-(4-chlorophenyl)carbonylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate Openeye Name: diisopropyl 3-(4-chlorobenzoyl)pyrrolo[2,1-a]phthalazine-1,2-dicarboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]pyrrolo[2,1-a]phthalazine-1,2-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 3-(4-chlorobenzoyl)pyrrolo[2,1-a]phthalazine-1,2-dicarboxylate Traditional Name: 3-(4-chlorobenzoyl)pyrrolo[2,1-a]phthalazine-1,2-dicarboxylic acid diisopropyl ester Formula: C26H23ClN2O5 MolecularWeight: 478.92422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C2C3=CC=CC=C3C=NN2C(=C1C(=O)OC(C)C)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C2C3=CC=CC=C3C=NN2C(=C1C(=O)OC(C)C)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H23ClN2O5/c1-14(2)33-25(31)20-21(26(32)34-15(3)4)23(24(30)16-9-11-18(27)12-10-16)29-22(20)19-8-6-5-7-17(19)13-28-29/h5-15H,1-4H3