N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[3-(3-methyl-1-phenyl-4-pyrazolyl)propyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]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)NCCCC3=CN(N=C3C)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCC3=CN(N=C3C)C4=CC=CC=C4

InChI

InChI=1S/C27H31N5O2/c1-3-4-10-18-31-27(34)24-16-9-8-15-23(24)25(30-31)26(33)28-17-11-12-21-19-32(29-20(21)2)22-13-6-5-7-14-22/h5-9,13-16,19H,3-4,10-12,17-18H2,1-2H3,(H,28,33)