3-[2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[(2S)-2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]ethyl]phthalazine-1-carboxamide Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CCCCCN2C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C24H26N4O4/c1-32-17-12-10-16(11-13-17)20-9-3-2-6-14-27(20)21(29)15-28-24(31)19-8-5-4-7-18(19)22(26-28)23(25)30/h4-5,7-8,10-13,20H,2-3,6,9,14-15H2,1H3,(H2,25,30)/t20-/m0/s1