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

Systemtic Name: 1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidine-4-carbonitrile Openeye Name: 1-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidine-4-carbonitrile CAS Name: 1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinecarbonitrile IUPAC Name: 1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidine-4-carbonitrile Traditional Name: 1-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]isonipecotonitrile Formula: C23H21ClN6 MolecularWeight: 416.90604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)C#N)Cl

InChI

InChI=1S/C23H21ClN6/c1-15-3-4-17(11-21(15)24)14-27-22-20-12-18(26-2)5-6-19(20)23(29-28-22)30-9-7-16(13-25)8-10-30/h3-6,11-12,16H,7-10,14H2,1H3,(H,27,28)