2-[1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]propan-1-ol

Systemtic Name: 2-[1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]propan-1-ol Openeye Name: 2-[1-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]propan-1-ol CAS Name: 2-[1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]-1-propanol IUPAC Name: 2-[1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]propan-1-ol Traditional Name: 2-[1-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]propan-1-ol Formula: C25H28ClN5O MolecularWeight: 449.97572

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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)CO)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN5O/c1-16-4-5-18(12-23(16)26)14-28-24-22-13-20(27-3)6-7-21(22)25(30-29-24)31-10-8-19(9-11-31)17(2)15-32/h4-7,12-13,17,19,32H,8-11,14-15H2,1-2H3,(H,28,29)