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

Systemtic Name: 1-[4-[2-(3-chloranyl-4-methyl-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]piperidine-4-carbonitrile Openeye Name: 1-[4-[2-(3-chloro-4-methyl-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]piperidine-4-carbonitrile CAS Name: 1-[4-[2-(3-chloro-4-methylphenyl)ethylamino]-6-isocyano-1-phthalazinyl]-4-piperidinecarbonitrile IUPAC Name: 1-[4-[2-(3-chloro-4-methylphenyl)ethylamino]-6-isocyanophthalazin-1-yl]piperidine-4-carbonitrile Traditional Name: 1-[4-[2-(3-chloro-4-methyl-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]isonipecotonitrile Formula: C24H23ClN6 MolecularWeight: 430.93262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)C#N)Cl

InChI

InChI=1S/C24H23ClN6/c1-16-3-4-17(13-22(16)25)7-10-28-23-21-14-19(27-2)5-6-20(21)24(30-29-23)31-11-8-18(15-26)9-12-31/h3-6,13-14,18H,7-12H2,1H3,(H,28,29)