N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[4-methoxy-3-(3-pyridylmethoxy)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[4-methoxy-3-(3-pyridinylmethoxy)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[4-methoxy-3-(3-pyridylmethoxy)phenyl]phthalazine-1-carboxamide Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)OC)OCC4=CN=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)OC)OCC4=CN=CC=C4

InChI

InChI=1S/C27H28N4O4/c1-3-4-7-15-31-27(33)22-11-6-5-10-21(22)25(30-31)26(32)29-20-12-13-23(34-2)24(16-20)35-18-19-9-8-14-28-17-19/h5-6,8-14,16-17H,3-4,7,15,18H2,1-2H3,(H,29,32)