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

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[2-(3-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=C3)OC)N4CCCC4

Isomeric SMILES

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

InChI

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