3-butyl-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(2,5-diethoxy-4-morpholino-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(2,5-diethoxy-4-morpholino-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C(=C3)OCC)N4CCOCC4)OCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C(=C3)OCC)N4CCOCC4)OCC

InChI

InChI=1S/C27H34N4O5/c1-4-7-12-31-27(33)20-11-9-8-10-19(20)25(29-31)26(32)28-21-17-24(36-6-3)22(18-23(21)35-5-2)30-13-15-34-16-14-30/h8-11,17-18H,4-7,12-16H2,1-3H3,(H,28,32)