4-oxidanylidene-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[[3-(benzyloxymethyl)phenyl]methyl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[3-(benzoxymethyl)benzyl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=CC=C3)COCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=CC=C3)COCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c1-19(2)30-27(32)24-14-7-6-13-23(24)25(29-30)26(31)28-16-21-11-8-12-22(15-21)18-33-17-20-9-4-3-5-10-20/h3-15,19H,16-18H2,1-2H3,(H,28,31)