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

Systemtic Name: 1-[3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile Openeye Name: 1-[3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile CAS Name: 1-[3,4-bis(hydroxymethyl)-1-pyrrolidinyl]-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-phthalazinecarbonitrile IUPAC Name: 1-[3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(3,4-dimethylolpyrrolidino)phthalazine-6-carbonitrile Formula: C23H24ClN5O3 MolecularWeight: 453.92136

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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)CO)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN5O3/c1-32-21-5-3-15(7-20(21)24)9-26-22-19-6-14(8-25)2-4-18(19)23(28-27-22)29-10-16(12-30)17(11-29)13-31/h2-7,16-17,30-31H,9-13H2,1H3,(H,26,27)