N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-(p-tolylmethyl)phthalazine-1-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(4-methylbenzyl)phthalazine-1-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C21H23N3O2/c1-14(2)13-24-21(26)18-7-5-4-6-17(18)19(23-24)20(25)22-12-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,22,25)