N-methyl-3-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-methyl-3-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-methyl-3-[[4-(m-tolylmethyl)piperazin-1-yl]methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-methyl-3-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-methyl-3-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-3-[[4-(3-methylbenzyl)piperazino]methyl]phthalazine-1-carboxamide Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC

InChI

InChI=1S/C23H27N5O2/c1-17-6-5-7-18(14-17)15-26-10-12-27(13-11-26)16-28-23(30)20-9-4-3-8-19(20)21(25-28)22(29)24-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,24,29)