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

Systemtic Name: 4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-bromo-4-methoxy-phenyl)methylamino]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]phthalazine-6-carbonitrile CAS Name: 4-[(3-bromo-4-methoxyphenyl)methylamino]-1-[3-(hydroxymethyl)-1-pyrrolidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-bromo-4-methoxyphenyl)methylamino]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-bromo-4-methoxy-benzyl)amino]-1-(3-methylolpyrrolidino)phthalazine-6-carbonitrile Formula: C22H22BrN5O2 MolecularWeight: 468.34638

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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(C4)CO)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(C4)CO)Br

InChI

InChI=1S/C22H22BrN5O2/c1-30-20-5-3-15(9-19(20)23)11-25-21-18-8-14(10-24)2-4-17(18)22(27-26-21)28-7-6-16(12-28)13-29/h2-5,8-9,16,29H,6-7,11-13H2,1H3,(H,25,26)