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

Systemtic Name: N-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(cycloheptylamino)-2-oxo-ethyl]-3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(cycloheptylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(cycloheptylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(cycloheptylamino)-2-keto-ethyl]-4-keto-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C25H28N4O4 MolecularWeight: 448.51422

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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)NC4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4CCCCCC4

InChI

InChI=1S/C25H28N4O4/c1-33-19-14-12-18(13-15-19)29-25(32)21-11-7-6-10-20(21)23(28-29)24(31)26-16-22(30)27-17-8-4-2-3-5-9-17/h6-7,10-15,17H,2-5,8-9,16H2,1H3,(H,26,31)(H,27,30)