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

Systemtic Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[2-(2-chlorophenyl)-2-pyrrolidino-ethyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C24H27ClN4O2 MolecularWeight: 438.94978

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CC=C3Cl)N4CCCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CC=C3Cl)N4CCCC4

InChI

InChI=1S/C24H27ClN4O2/c1-2-13-29-24(31)18-10-4-3-9-17(18)22(27-29)23(30)26-16-21(28-14-7-8-15-28)19-11-5-6-12-20(19)25/h3-6,9-12,21H,2,7-8,13-16H2,1H3,(H,26,30)