2-[2-[6-methoxy-3-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[2-[6-methoxy-3-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[2-(4-benzyl-6-methoxy-3-oxo-1,4-diazepan-1-yl)-2-oxo-ethyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[2-[6-methoxy-3-oxo-4-(phenylmethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[2-(4-benzyl-6-methoxy-3-oxo-1,4-diazepan-1-yl)-2-oxoethyl]-4-phenylphthalazin-1-one Traditional Name: 2-[2-(4-benzyl-3-keto-6-methoxy-1,4-diazepan-1-yl)-2-keto-ethyl]-4-phenyl-phthalazin-1-one Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC(=O)N(C1)CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

COC1CN(CC(=O)N(C1)CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C29H28N4O4/c1-37-23-17-31(16-21-10-4-2-5-11-21)26(34)19-32(18-23)27(35)20-33-29(36)25-15-9-8-14-24(25)28(30-33)22-12-6-3-7-13-22/h2-15,23H,16-20H2,1H3