N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-(2-methyl-4-pyrrolidino-phenyl)phthalazine-1-carboxamide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)N4CCCC4)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)N4CCCC4)C

InChI

InChI=1S/C25H30N4O2/c1-3-4-7-16-29-25(31)21-11-6-5-10-20(21)23(27-29)24(30)26-22-13-12-19(17-18(22)2)28-14-8-9-15-28/h5-6,10-13,17H,3-4,7-9,14-16H2,1-2H3,(H,26,30)