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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-(3,4-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-3-(3,4-dimethoxyphenyl)-4-keto-phthalazine-1-carboxamide Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O5/c1-33-20-12-11-17(15-21(20)34-2)29-25(32)19-10-6-5-9-18(19)23(27-29)24(31)26-16-22(30)28-13-7-3-4-8-14-28/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,26,31)