1-[4-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]phthalazin-1-yl]piperidine-4-carbonitrile

Systemtic Name: 1-[4-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]phthalazin-1-yl]piperidine-4-carbonitrile Openeye Name: 1-[4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]phthalazin-1-yl]piperidine-4-carbonitrile CAS Name: 1-[4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phthalazinyl]-4-piperidinecarbonitrile IUPAC Name: 1-[4-[2-(3-chloro-4-methoxyphenyl)ethylamino]phthalazin-1-yl]piperidine-4-carbonitrile Traditional Name: 1-[4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]phthalazin-1-yl]isonipecotonitrile Formula: C23H24ClN5O MolecularWeight: 421.92256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NN=C(C3=CC=CC=C32)N4CCC(CC4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NN=C(C3=CC=CC=C32)N4CCC(CC4)C#N)Cl

InChI

InChI=1S/C23H24ClN5O/c1-30-21-7-6-16(14-20(21)24)8-11-26-22-18-4-2-3-5-19(18)23(28-27-22)29-12-9-17(15-25)10-13-29/h2-7,14,17H,8-13H2,1H3,(H,26,27)