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

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]-3-propyl-phthalazine-1-carboxamide Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC(=CC=C3)OC)N4CCCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC(=CC=C3)OC)N4CCCC4

InChI

InChI=1S/C25H30N4O3/c1-3-13-29-25(31)21-12-5-4-11-20(21)23(27-29)24(30)26-17-22(28-14-6-7-15-28)18-9-8-10-19(16-18)32-2/h4-5,8-12,16,22H,3,6-7,13-15,17H2,1-2H3,(H,26,30)