2-[4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]piperazino]ethanol Formula: C23H25ClN6O2 MolecularWeight: 452.9366

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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-])N4CCN(CC4)CCO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCN(CC4)CCO)Cl

InChI

InChI=1S/C23H25ClN6O2/c1-25-17-4-5-18-19(14-17)22(26-15-16-3-6-21(32-2)20(24)13-16)27-28-23(18)30-9-7-29(8-10-30)11-12-31/h3-6,13-14,31H,7-12,15H2,2H3,(H,26,27)