3-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[3-[4-(m-tolylmethyl)piperazin-1-yl]-3-oxo-propyl]-2H-phthalazine-1,4-dione CAS Name: 3-[3-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-3-oxopropyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[3-keto-3-[4-(3-methylbenzyl)piperazino]propyl]-2H-phthalazine-1,4-quinone Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H26N4O3/c1-17-5-4-6-18(15-17)16-25-11-13-26(14-12-25)21(28)9-10-27-23(30)20-8-3-2-7-19(20)22(29)24-27/h2-8,15H,9-14,16H2,1H3,(H,24,29)