4-[(3,4-dichlorophenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3,4-dichlorophenyl)methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3,4-dichlorophenyl)methylamino]-1-(4-hydroxy-1-piperidyl)phthalazine-6-carbonitrile CAS Name: 4-[(3,4-dichlorophenyl)methylamino]-1-(4-hydroxy-1-piperidinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3,4-dichlorophenyl)methylamino]-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3,4-dichlorobenzyl)amino]-1-(4-hydroxypiperidino)phthalazine-6-carbonitrile Formula: C21H19Cl2N5O MolecularWeight: 428.31446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCC1O)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H19Cl2N5O/c22-18-4-2-14(10-19(18)23)12-25-20-17-9-13(11-24)1-3-16(17)21(27-26-20)28-7-5-15(29)6-8-28/h1-4,9-10,15,29H,5-8,12H2,(H,25,26)