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

Systemtic Name: [4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]piperazino]-phenyl-methanone Formula: C26H23N5O3 MolecularWeight: 453.49252

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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=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C26H23N5O3/c32-26(18-6-2-1-3-7-18)31-14-12-30(13-15-31)25-21-9-5-4-8-20(21)24(28-29-25)27-19-10-11-22-23(16-19)34-17-33-22/h1-11,16H,12-15,17H2,(H,27,28)