4-chloranyl-6-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-2H-phthalazin-1-one

Systemtic Name: 4-chloranyl-6-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-2H-phthalazin-1-one Openeye Name: 4-chloro-6-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-2H-phthalazin-1-one CAS Name: 4-chloro-6-[[3-(4-methyl-1-piperazinyl)phenyl]methylamino]-2H-phthalazin-1-one IUPAC Name: 4-chloro-6-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-2H-phthalazin-1-one Traditional Name: 4-chloro-6-[[3-(4-methylpiperazino)benzyl]amino]-2H-phthalazin-1-one Formula: C20H22ClN5O MolecularWeight: 383.87458

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC(=C2)CNC3=CC4=C(C=C3)C(=O)NN=C4Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC(=C2)CNC3=CC4=C(C=C3)C(=O)NN=C4Cl

InChI

InChI=1S/C20H22ClN5O/c1-25-7-9-26(10-8-25)16-4-2-3-14(11-16)13-22-15-5-6-17-18(12-15)19(21)23-24-20(17)27/h2-6,11-12,22H,7-10,13H2,1H3,(H,24,27)