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

Systemtic Name: 4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-1-[4-(hydroxymethyl)piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-bromo-4-methoxy-phenyl)methylamino]-1-[4-(hydroxymethyl)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-bromo-4-methoxyphenyl)methylamino]-1-[4-(hydroxymethyl)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-bromo-4-methoxyphenyl)methylamino]-1-[4-(hydroxymethyl)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-bromo-4-methoxy-benzyl)amino]-1-(4-methylolpiperidino)phthalazine-6-carbonitrile Formula: C23H24BrN5O2 MolecularWeight: 482.37296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)CO)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)CO)Br

InChI

InChI=1S/C23H24BrN5O2/c1-31-21-5-3-17(11-20(21)24)13-26-22-19-10-16(12-25)2-4-18(19)23(28-27-22)29-8-6-15(14-30)7-9-29/h2-5,10-11,15,30H,6-9,13-14H2,1H3,(H,26,27)