N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]ethyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-keto-phthalazine-1-carboxamide Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC=C(C=C3)N4C(=CC(=N4)C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC=C(C=C3)N4C(=CC(=N4)C)C

InChI

InChI=1S/C27H31N5O2/c1-4-5-8-17-31-27(34)24-10-7-6-9-23(24)25(30-31)26(33)28-16-15-21-11-13-22(14-12-21)32-20(3)18-19(2)29-32/h6-7,9-14,18H,4-5,8,15-17H2,1-3H3,(H,28,33)