N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(1-morpholinocyclohexyl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[[1-(4-morpholinyl)cyclohexyl]methyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(1-morpholinocyclohexyl)methyl]phthalazine-1-carboxamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C27H32N4O3/c32-25(28-20-27(13-7-2-8-14-27)30-15-17-34-18-16-30)24-22-11-5-6-12-23(22)26(33)31(29-24)19-21-9-3-1-4-10-21/h1,3-6,9-12H,2,7-8,13-20H2,(H,28,32)