1-[4-[(3,4-dichlorophenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-ol

Systemtic Name: 1-[4-[(3,4-dichlorophenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[4-[(3,4-dichlorophenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[4-[(3,4-dichlorophenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinol IUPAC Name: 1-[4-[(3,4-dichlorophenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[4-[(3,4-dichlorobenzyl)amino]-6-isocyano-phthalazin-1-yl]piperidin-4-ol Formula: C21H19Cl2N5O MolecularWeight: 428.31446

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)C(=NN=C2NCC3=CC(=C(C=C3)Cl)Cl)N4CCC(CC4)O

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)C(=NN=C2NCC3=CC(=C(C=C3)Cl)Cl)N4CCC(CC4)O

InChI

InChI=1S/C21H19Cl2N5O/c1-24-14-3-4-16-17(11-14)20(25-12-13-2-5-18(22)19(23)10-13)26-27-21(16)28-8-6-15(29)7-9-28/h2-5,10-11,15,29H,6-9,12H2,(H,25,26)