1-[4-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]piperidine-4-carbonitrile

Systemtic Name: 1-[4-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]piperidine-4-carbonitrile Openeye Name: 1-[4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]piperidine-4-carbonitrile CAS Name: 1-[4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-6-isocyano-1-phthalazinyl]-4-piperidinecarbonitrile IUPAC Name: 1-[4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-6-isocyanophthalazin-1-yl]piperidine-4-carbonitrile Traditional Name: 1-[4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]isonipecotonitrile Formula: C24H23ClN6O MolecularWeight: 446.93202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)C#N)Cl

InChI

InChI=1S/C24H23ClN6O/c1-27-18-4-5-19-20(14-18)23(28-10-7-16-3-6-22(32-2)21(25)13-16)29-30-24(19)31-11-8-17(15-26)9-12-31/h3-6,13-14,17H,7-12H2,2H3,(H,28,29)