[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O4/c1-3-13-30-25(32)22-12-8-7-11-21(22)23(27-30)26(33)34-19(2)24(31)29-16-14-28(15-17-29)18-20-9-5-4-6-10-20/h4-12,19H,3,13-18H2,1-2H3