4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[3-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[3-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[3-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[3-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[3-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(3-methylol-3-pyrrolin-1-yl)phthalazine-6-carbonitrile Formula: C22H20ClN5O2 MolecularWeight: 421.8795

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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)N4CC=C(C4)CO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CC=C(C4)CO)Cl

InChI

InChI=1S/C22H20ClN5O2/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/h2-6,8-9,29H,7,11-13H2,1H3,(H,25,26)