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

Systemtic Name: 3-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-methyl-amino]propan-1-ol Openeye Name: 3-[[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-methyl-amino]propan-1-ol CAS Name: 3-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-methylamino]-1-propanol IUPAC Name: 3-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]-methylamino]propan-1-ol Traditional Name: 3-[[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-methyl-amino]propan-1-ol Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCO)C1=NN=C(C2=C1C=CC(=C2)[N+]#[C-])NCC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CN(CCCO)C1=NN=C(C2=C1C=CC(=C2)[N+]#[C-])NCC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H22ClN5O2/c1-23-15-6-7-16-17(12-15)20(25-26-21(16)27(2)9-4-10-28)24-13-14-5-8-19(29-3)18(22)11-14/h5-8,11-12,28H,4,9-10,13H2,2-3H3,(H,24,25)