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

Systemtic Name: N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[4-methoxy-3-(4-pyridylmethoxy)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[4-methoxy-3-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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