[4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]piperazino]-(2-thienyl)methanone Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CS6

InChI

InChI=1S/C24H21N5O3S/c30-24(21-6-3-13-33-21)29-11-9-28(10-12-29)23-18-5-2-1-4-17(18)22(26-27-23)25-16-7-8-19-20(14-16)32-15-31-19/h1-8,13-14H,9-12,15H2,(H,25,26)