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

Systemtic Name: [1-[4-[2-(3-chloranyl-4-methyl-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]piperidin-3-yl]methanol Openeye Name: [1-[4-[2-(3-chloro-4-methyl-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]-3-piperidyl]methanol CAS Name: [1-[4-[2-(3-chloro-4-methylphenyl)ethylamino]-6-isocyano-1-phthalazinyl]-3-piperidinyl]methanol IUPAC Name: [1-[4-[2-(3-chloro-4-methylphenyl)ethylamino]-6-isocyanophthalazin-1-yl]piperidin-3-yl]methanol Traditional Name: [1-[4-[2-(3-chloro-4-methyl-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]-3-piperidyl]methanol Formula: C24H26ClN5O MolecularWeight: 435.94914

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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-])N4CCCC(C4)CO)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCCC(C4)CO)Cl

InChI

InChI=1S/C24H26ClN5O/c1-16-5-6-17(12-22(16)25)9-10-27-23-21-13-19(26-2)7-8-20(21)24(29-28-23)30-11-3-4-18(14-30)15-31/h5-8,12-13,18,31H,3-4,9-11,14-15H2,1H3,(H,27,28)