7-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-phthalazin-1-yl]-7-azaspiro[3.5]nonan-2-ol

Systemtic Name: 7-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-phthalazin-1-yl]-7-azaspiro[3.5]nonan-2-ol Openeye Name: 7-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-phthalazin-1-yl]-7-azaspiro[3.5]nonan-2-ol CAS Name: 7-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-7-azaspiro[3.5]nonan-2-ol IUPAC Name: 7-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyanophthalazin-1-yl]-7-azaspiro[3.5]nonan-2-ol Traditional Name: 7-[4-[(3,4-dimethylbenzyl)amino]-6-isocyano-phthalazin-1-yl]-7-azaspiro[3.5]nonan-2-ol Formula: C26H29N5O MolecularWeight: 427.54136

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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-])N4CCC5(CC4)CC(C5)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC5(CC4)CC(C5)O)C

InChI

InChI=1S/C26H29N5O/c1-17-4-5-19(12-18(17)2)16-28-24-23-13-20(27-3)6-7-22(23)25(30-29-24)31-10-8-26(9-11-31)14-21(32)15-26/h4-7,12-13,21,32H,8-11,14-16H2,1-2H3,(H,28,29)