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

Systemtic Name: 4-(4-azanylpiperidin-1-yl)-1-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile Openeye Name: 4-(4-amino-1-piperidyl)-1-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile CAS Name: 4-(4-amino-1-piperidinyl)-1-[(3-chloro-4-methoxyphenyl)methylamino]-6-phthalazinecarbonitrile IUPAC Name: 4-(4-aminopiperidin-1-yl)-1-[(3-chloro-4-methoxyphenyl)methylamino]phthalazine-6-carbonitrile Traditional Name: 4-(4-aminopiperidino)-1-[(3-chloro-4-methoxy-benzyl)amino]phthalazine-6-carbonitrile Formula: C22H23ClN6O MolecularWeight: 422.91062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=CC(=C3)C#N)N4CCC(CC4)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=CC(=C3)C#N)N4CCC(CC4)N)Cl

InChI

InChI=1S/C22H23ClN6O/c1-30-20-5-3-15(11-19(20)23)13-26-21-17-4-2-14(12-24)10-18(17)22(28-27-21)29-8-6-16(25)7-9-29/h2-5,10-11,16H,6-9,13,25H2,1H3,(H,26,27)