N1-(1,3-benzothiazol-6-yl)-N4-(4-piperidin-1-ylphenyl)phthalazine-1,4-diamine

Systemtic Name: N1-(1,3-benzothiazol-6-yl)-N4-(4-piperidin-1-ylphenyl)phthalazine-1,4-diamine Openeye Name: N1-(1,3-benzothiazol-6-yl)-N4-[4-(1-piperidyl)phenyl]phthalazine-1,4-diamine CAS Name: N1-(1,3-benzothiazol-6-yl)-N4-[4-(1-piperidinyl)phenyl]phthalazine-1,4-diamine IUPAC Name: 1-N-(1,3-benzothiazol-6-yl)-4-N-(4-piperidin-1-ylphenyl)phthalazine-1,4-diamine Traditional Name: 1,3-benzothiazol-6-yl-[4-(4-piperidinoanilino)phthalazin-1-yl]amine Formula: C26H24N6S MolecularWeight: 452.57396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)NC5=CC6=C(C=C5)N=CS6

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)NC5=CC6=C(C=C5)N=CS6

InChI

InChI=1S/C26H24N6S/c1-4-14-32(15-5-1)20-11-8-18(9-12-20)28-25-21-6-2-3-7-22(21)26(31-30-25)29-19-10-13-23-24(16-19)33-17-27-23/h2-3,6-13,16-17H,1,4-5,14-15H2,(H,28,30)(H,29,31)