1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-isocyano-phthalazin-1-yl]piperidin-4-ol

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-isocyano-phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-isocyano-phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-isocyano-1-phthalazinyl]-4-piperidinol IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-isocyanophthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[6-isocyano-4-(piperonylamino)phthalazin-1-yl]piperidin-4-ol Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)C(=NN=C2NCC3=CC4=C(C=C3)OCO4)N5CCC(CC5)O

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)C(=NN=C2NCC3=CC4=C(C=C3)OCO4)N5CCC(CC5)O

InChI

InChI=1S/C22H21N5O3/c1-23-15-3-4-17-18(11-15)21(25-26-22(17)27-8-6-16(28)7-9-27)24-12-14-2-5-19-20(10-14)30-13-29-19/h2-5,10-11,16,28H,6-9,12-13H2,(H,24,25)