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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-N-[2-[3-(4-methylpiperazin-1-yl)propylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-N-[2-[3-(4-methylpiperazin-1-yl)propylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-N-[2-[3-(4-methyl-1-piperazinyl)propylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-N-[2-[3-(4-methylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-4-keto-N-[2-keto-2-[3-(4-methylpiperazino)propylamino]ethyl]phthalazine-1-carboxamide Formula: C26H31ClN6O4 MolecularWeight: 527.01514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C26H31ClN6O4/c1-31-12-14-32(15-13-31)11-5-10-28-23(34)17-29-25(35)24-19-6-3-4-7-20(19)26(36)33(30-24)18-8-9-22(37-2)21(27)16-18/h3-4,6-9,16H,5,10-15,17H2,1-2H3,(H,28,34)(H,29,35)