4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(4-methylpiperazin-1-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(4-methylpiperazin-1-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(4-methylpiperazin-1-yl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(4-methyl-1-piperazinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(4-methylpiperazin-1-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-(4-methylpiperazino)phthalazine-6-carbonitrile Formula: C22H23ClN6O MolecularWeight: 422.91062

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=CC3=C(N=NC=C23)NCC4=CC(=C(C=C4)OC)Cl)C#N

Isomeric SMILES

CN1CCN(CC1)C2=CC(=CC3=C(N=NC=C23)NCC4=CC(=C(C=C4)OC)Cl)C#N

InChI

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