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

Systemtic Name: [1-[4-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]piperidin-3-yl]methanol Openeye Name: [1-[4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]-3-piperidyl]methanol CAS Name: [1-[4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-6-isocyano-1-phthalazinyl]-3-piperidinyl]methanol IUPAC Name: [1-[4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-6-isocyanophthalazin-1-yl]piperidin-3-yl]methanol Traditional Name: [1-[4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]-3-piperidyl]methanol Formula: C24H26ClN5O2 MolecularWeight: 451.94854

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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-])N4CCCC(C4)CO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCCC(C4)CO)Cl

InChI

InChI=1S/C24H26ClN5O2/c1-26-18-6-7-19-20(13-18)23(27-10-9-16-5-8-22(32-2)21(25)12-16)28-29-24(19)30-11-3-4-17(14-30)15-31/h5-8,12-13,17,31H,3-4,9-11,14-15H2,2H3,(H,27,28)