4-(1,3-benzodioxol-5-ylmethylamino)-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-1-(4-hydroxy-1-piperidyl)phthalazine-6-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-1-(4-hydroxy-1-piperidinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbonitrile Traditional Name: 1-(4-hydroxypiperidino)-4-(piperonylamino)phthalazine-6-carbonitrile Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1O)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N5O3/c23-11-14-1-3-17-18(9-14)21(25-26-22(17)27-7-5-16(28)6-8-27)24-12-15-2-4-19-20(10-15)30-13-29-19/h1-4,9-10,16,28H,5-8,12-13H2,(H,24,25)