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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(4-methoxypiperidin-1-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(4-methoxy-1-piperidyl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(4-methoxy-1-piperidinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(4-methoxypiperidin-1-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-(4-methoxypiperidino)phthalazine-6-carbonitrile Formula: C23H24ClN5O2 MolecularWeight: 437.92196

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(CC1)C2=CC(=CC3=C(N=NC=C23)NCC4=CC(=C(C=C4)OC)Cl)C#N

Isomeric SMILES

COC1CCN(CC1)C2=CC(=CC3=C(N=NC=C23)NCC4=CC(=C(C=C4)OC)Cl)C#N

InChI

InChI=1S/C23H24ClN5O2/c1-30-17-5-7-29(8-6-17)21-11-16(12-25)9-18-19(21)14-27-28-23(18)26-13-15-3-4-22(31-2)20(24)10-15/h3-4,9-11,14,17H,5-8,13H2,1-2H3,(H,26,28)