4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-methylpiperazin-1-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-methylpiperazin-1-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(4-methylpiperazin-1-yl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-methyl-1-piperazinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-methylpiperazin-1-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-methylpiperazino)phthalazine-6-carbonitrile Formula: C22H23ClN6O MolecularWeight: 422.91062

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CN1CCN(CC1)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C22H23ClN6O/c1-28-7-9-29(10-8-28)22-17-5-3-15(13-24)11-18(17)21(26-27-22)25-14-16-4-6-20(30-2)19(23)12-16/h3-6,11-12H,7-10,14H2,1-2H3,(H,25,26)