4-[(4-methoxy-3-methyl-phenyl)methylamino]-1-[4-(3-oxidanylcyclobutyl)piperidin-1-yl]phthalazine-6-carbonitrile

Systemtic Name: 4-[(4-methoxy-3-methyl-phenyl)methylamino]-1-[4-(3-oxidanylcyclobutyl)piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 1-[4-(3-hydroxycyclobutyl)-1-piperidyl]-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazine-6-carbonitrile CAS Name: 1-[4-(3-hydroxycyclobutyl)-1-piperidinyl]-4-[(4-methoxy-3-methylphenyl)methylamino]-6-phthalazinecarbonitrile IUPAC Name: 1-[4-(3-hydroxycyclobutyl)piperidin-1-yl]-4-[(4-methoxy-3-methylphenyl)methylamino]phthalazine-6-carbonitrile Traditional Name: 1-[4-(3-hydroxycyclobutyl)piperidino]-4-[(4-methoxy-3-methyl-benzyl)amino]phthalazine-6-carbonitrile Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)C5CC(C5)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)C5CC(C5)O)OC

InChI

InChI=1S/C27H31N5O2/c1-17-11-19(4-6-25(17)34-2)16-29-26-24-12-18(15-28)3-5-23(24)27(31-30-26)32-9-7-20(8-10-32)21-13-22(33)14-21/h3-6,11-12,20-22,33H,7-10,13-14,16H2,1-2H3,(H,29,30)