N-(4-methylpentyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-(4-methylpentyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-isohexyl-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-(4-methylpentyl)-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(4-methylpentyl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-isohexyl-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-15(2)9-8-14-22-20(25)19-17-12-6-7-13-18(17)21(26)24(23-19)16-10-4-3-5-11-16/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,22,25)