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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N3O2/c1-3-4-13-24-21(26)18-8-6-5-7-17(18)19(23-24)20(25)22-14-16-11-9-15(2)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)