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

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-3-isopentyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-3-(3-methylbutyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(3-methylbutyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-3-isoamyl-4-keto-phthalazine-1-carboxamide Formula: C28H36N4O5 MolecularWeight: 508.60924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CCC(C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CCC(C)C

InChI

InChI=1S/C28H36N4O5/c1-5-36-24-18-23(31-13-15-35-16-14-31)25(37-6-2)17-22(24)29-27(33)26-20-9-7-8-10-21(20)28(34)32(30-26)12-11-19(3)4/h7-10,17-19H,5-6,11-16H2,1-4H3,(H,29,33)