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

Systemtic Name: [1-[4-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol Openeye Name: [1-[4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol CAS Name: [1-[4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-6-isocyano-1-phthalazinyl]-3-pyrrolidinyl]methanol IUPAC Name: [1-[4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-6-isocyanophthalazin-1-yl]pyrrolidin-3-yl]methanol Traditional Name: [1-[4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol Formula: C23H24ClN5O2 MolecularWeight: 437.92196

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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(C4)CO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(C4)CO)Cl

InChI

InChI=1S/C23H24ClN5O2/c1-25-17-4-5-18-19(12-17)22(27-28-23(18)29-10-8-16(13-29)14-30)26-9-7-15-3-6-21(31-2)20(24)11-15/h3-6,11-12,16,30H,7-10,13-14H2,2H3,(H,26,27)