4-[(4-methoxy-3-methyl-phenyl)methylamino]-1-(2-oxidanyl-7-azaspiro[3.5]nonan-7-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(4-methoxy-3-methyl-phenyl)methylamino]-1-(2-oxidanyl-7-azaspiro[3.5]nonan-7-yl)phthalazine-6-carbonitrile Openeye Name: 1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazine-6-carbonitrile CAS Name: 1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-4-[(4-methoxy-3-methylphenyl)methylamino]-6-phthalazinecarbonitrile IUPAC Name: 1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-4-[(4-methoxy-3-methylphenyl)methylamino]phthalazine-6-carbonitrile Traditional Name: 1-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-4-[(4-methoxy-3-methyl-benzyl)amino]phthalazine-6-carbonitrile Formula: C26H29N5O2 MolecularWeight: 443.54076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC5(CC4)CC(C5)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC5(CC4)CC(C5)O)OC

InChI

InChI=1S/C26H29N5O2/c1-17-11-19(4-6-23(17)33-2)16-28-24-22-12-18(15-27)3-5-21(22)25(30-29-24)31-9-7-26(8-10-31)13-20(32)14-26/h3-6,11-12,20,32H,7-10,13-14,16H2,1-2H3,(H,28,29)