1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidine-4-carbonitrile

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidine-4-carbonitrile Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidine-4-carbonitrile CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]-4-piperidinecarbonitrile IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]piperidine-4-carbonitrile Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]isonipecotonitrile Formula: C22H22ClN5O MolecularWeight: 407.89598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)N4CCC(CC4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)N4CCC(CC4)C#N)Cl

InChI

InChI=1S/C22H22ClN5O/c1-29-20-7-6-16(12-19(20)23)14-25-21-17-4-2-3-5-18(17)22(27-26-21)28-10-8-15(13-24)9-11-28/h2-7,12,15H,8-11,14H2,1H3,(H,25,26)