N-(5-chloranyl-2-morpholin-4-yl-phenyl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-morpholin-4-yl-phenyl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(5-chloro-2-morpholino-phenyl)-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-chloro-2-(4-morpholinyl)phenyl]-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(5-chloro-2-morpholin-4-ylphenyl)-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(5-chloro-2-morpholino-phenyl)-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C25H29ClN4O3 MolecularWeight: 468.97576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4

InChI

InChI=1S/C25H29ClN4O3/c1-2-3-4-7-12-30-25(32)20-9-6-5-8-19(20)23(28-30)24(31)27-21-17-18(26)10-11-22(21)29-13-15-33-16-14-29/h5-6,8-11,17H,2-4,7,12-16H2,1H3,(H,27,31)