4-[[6-[(3-methoxyphenyl)methoxy]-3-oxidanylidene-4-phenethyl-1,4-diazepan-1-yl]carbonyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[[6-[(3-methoxyphenyl)methoxy]-3-oxidanylidene-4-phenethyl-1,4-diazepan-1-yl]carbonyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[6-[(3-methoxyphenyl)methoxy]-3-oxo-4-phenethyl-1,4-diazepane-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[6-[(3-methoxyphenyl)methoxy]-3-oxo-4-phenethyl-1,4-diazepan-1-yl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[6-[(3-methoxyphenyl)methoxy]-3-oxo-4-phenethyl-1,4-diazepane-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-(3-keto-6-m-anisyloxy-4-phenethyl-1,4-diazepane-1-carbonyl)-2-methyl-phthalazin-1-one Formula: C31H32N4O5 MolecularWeight: 540.60958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC(CN(C(=O)C3)CCC4=CC=CC=C4)OCC5=CC(=CC=C5)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC(CN(C(=O)C3)CCC4=CC=CC=C4)OCC5=CC(=CC=C5)OC

InChI

InChI=1S/C31H32N4O5/c1-33-30(37)27-14-7-6-13-26(27)29(32-33)31(38)35-19-25(40-21-23-11-8-12-24(17-23)39-2)18-34(28(36)20-35)16-15-22-9-4-3-5-10-22/h3-14,17,25H,15-16,18-21H2,1-2H3