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

Systemtic Name: 1-[1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]ethanol Openeye Name: 1-[1-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]ethanol CAS Name: 1-[1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]ethanol IUPAC Name: 1-[1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]ethanol Traditional Name: 1-[1-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]ethanol Formula: C24H26ClN5O MolecularWeight: 435.94914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)C(C)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)C(C)O)Cl

InChI

InChI=1S/C24H26ClN5O/c1-15-4-5-17(12-22(15)25)14-27-23-21-13-19(26-3)6-7-20(21)24(29-28-23)30-10-8-18(9-11-30)16(2)31/h4-7,12-13,16,18,31H,8-11,14H2,1-2H3,(H,27,28)