3-butyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-keto-phthalazine-1-carboxamide Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3CN(C)C4CCCCC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3CN(C)C4CCCCC4

InChI

InChI=1S/C27H34N4O2/c1-3-4-18-31-27(33)23-16-10-9-15-22(23)25(29-31)26(32)28-24-17-11-8-12-20(24)19-30(2)21-13-6-5-7-14-21/h8-12,15-17,21H,3-7,13-14,18-19H2,1-2H3,(H,28,32)