N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]phthalazine-1-carboxamide Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CC=C3OC)N4CCCC4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CC=C3OC)N4CCCC4

InChI

InChI=1S/C27H34N4O3/c1-3-4-9-18-31-27(33)21-13-6-5-12-20(21)25(29-31)26(32)28-19-23(30-16-10-11-17-30)22-14-7-8-15-24(22)34-2/h5-8,12-15,23H,3-4,9-11,16-19H2,1-2H3,(H,28,32)