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

Systemtic Name: [1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-3-yl]methanol Openeye Name: [1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-3-piperidyl]methanol CAS Name: [1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-3-piperidinyl]methanol IUPAC Name: [1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-3-yl]methanol Traditional Name: [1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-3-piperidyl]methanol Formula: C23H24ClN5O2 MolecularWeight: 437.92196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCCC(C4)CO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCCC(C4)CO)Cl

InChI

InChI=1S/C23H24ClN5O2/c1-25-17-6-7-18-19(11-17)22(26-12-15-5-8-21(31-2)20(24)10-15)27-28-23(18)29-9-3-4-16(13-29)14-30/h5-8,10-11,16,30H,3-4,9,12-14H2,2H3,(H,26,27)