N,N-diethyl-4-[[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]piperazine-1-carboxamide

Systemtic Name: N,N-diethyl-4-[[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]piperazine-1-carboxamide Openeye Name: N,N-diethyl-4-[[1-oxo-4-(p-tolyl)phthalazin-2-yl]methyl]piperazine-1-carboxamide CAS Name: N,N-diethyl-4-[[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]methyl]-1-piperazinecarboxamide IUPAC Name: N,N-diethyl-4-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]piperazine-1-carboxamide Traditional Name: N,N-diethyl-4-[[1-keto-4-(p-tolyl)phthalazin-2-yl]methyl]piperazine-1-carboxamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)C

Isomeric SMILES

CCN(CC)C(=O)N1CCN(CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H31N5O2/c1-4-28(5-2)25(32)29-16-14-27(15-17-29)18-30-24(31)22-9-7-6-8-21(22)23(26-30)20-12-10-19(3)11-13-20/h6-13H,4-5,14-18H2,1-3H3