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

Systemtic Name: [1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-methoxy-piperidin-4-yl]methanol Openeye Name: [1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-methoxy-4-piperidyl]methanol CAS Name: [1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-methoxy-4-piperidinyl]methanol IUPAC Name: [1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]-4-methoxypiperidin-4-yl]methanol Traditional Name: [1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-methoxy-4-piperidyl]methanol Formula: C24H26ClN5O3 MolecularWeight: 467.94794

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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-])N4CCC(CC4)(CO)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)(CO)OC)Cl

InChI

InChI=1S/C24H26ClN5O3/c1-26-17-5-6-18-19(13-17)22(27-14-16-4-7-21(32-2)20(25)12-16)28-29-23(18)30-10-8-24(15-31,33-3)9-11-30/h4-7,12-13,31H,8-11,14-15H2,2-3H3,(H,27,28)