1-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]piperidin-1-yl]-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile

Systemtic Name: 1-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]piperidin-1-yl]-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[4-(1,3-dioxoisoindolin-2-yl)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-(1,3-dioxo-2-isoindolyl)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-phthalimidopiperidino)phthalazine-6-carbonitrile Formula: C30H25ClN6O3 MolecularWeight: 553.0109

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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)N5C(=O)C6=CC=CC=C6C5=O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)N5C(=O)C6=CC=CC=C6C5=O)Cl

InChI

InChI=1S/C30H25ClN6O3/c1-40-26-9-7-19(15-25(26)31)17-33-27-24-14-18(16-32)6-8-21(24)28(35-34-27)36-12-10-20(11-13-36)37-29(38)22-4-2-3-5-23(22)30(37)39/h2-9,14-15,20H,10-13,17H2,1H3,(H,33,34)