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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCCCCC4

InChI

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