4-oxidanylidene-3-pentyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-pentyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-pentyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-pentyl-N-[3-(1-pyrrolidinylmethyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-pentyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]phthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[3-(pyrrolidinomethyl)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=CC=CC(=C3)CN4CCCC4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)CN4CCCC4

InChI

InChI=1S/C25H30N4O2/c1-2-3-6-16-29-25(31)22-13-5-4-12-21(22)23(27-29)24(30)26-20-11-9-10-19(17-20)18-28-14-7-8-15-28/h4-5,9-13,17H,2-3,6-8,14-16,18H2,1H3,(H,26,30)