3-(3-chloranyl-4-methoxy-phenyl)-N-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-N-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-N-[2-(cycloheptylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-N-[2-(cycloheptylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-N-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-N-[2-(cycloheptylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C25H27ClN4O4 MolecularWeight: 482.95928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O4/c1-34-21-13-12-17(14-20(21)26)30-25(33)19-11-7-6-10-18(19)23(29-30)24(32)27-15-22(31)28-16-8-4-2-3-5-9-16/h6-7,10-14,16H,2-5,8-9,15H2,1H3,(H,27,32)(H,28,31)