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

Systemtic Name: 1-[4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-2-methyl-but-3-yn-2-yl]piperidin-4-ol Openeye Name: 1-[3-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-1,1-dimethyl-prop-2-ynyl]piperidin-4-ol CAS Name: 1-[4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-2-methylbut-3-yn-2-yl]-4-piperidinol IUPAC Name: 1-[4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]-2-methylbut-3-yn-2-yl]piperidin-4-ol Traditional Name: 1-[3-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-1,1-dimethyl-prop-2-ynyl]piperidin-4-ol Formula: C27H28ClN5O2 MolecularWeight: 489.99652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C2C=CC(=CC2=C(N=N1)NCC3=CC(=C(C=C3)OC)Cl)[N+]#[C-])N4CCC(CC4)O

Isomeric SMILES

CC(C)(C#CC1=C2C=CC(=CC2=C(N=N1)NCC3=CC(=C(C=C3)OC)Cl)[N+]#[C-])N4CCC(CC4)O

InChI

InChI=1S/C27H28ClN5O2/c1-27(2,33-13-10-20(34)11-14-33)12-9-24-21-7-6-19(29-3)16-22(21)26(32-31-24)30-17-18-5-8-25(35-4)23(28)15-18/h5-8,15-16,20,34H,10-11,13-14,17H2,1-2,4H3,(H,30,32)