2-[4-[4-[(2,4-dimethylphenyl)amino]phthalazin-1-yl]phenoxy]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-[(2,4-dimethylphenyl)amino]phthalazin-1-yl]phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[4-(2,4-dimethylanilino)phthalazin-1-yl]phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[4-(2,4-dimethylanilino)-1-phthalazinyl]phenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[4-(2,4-dimethylanilino)phthalazin-1-yl]phenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[4-(2,4-dimethylanilino)phthalazin-1-yl]phenoxy]-1-piperidino-ethanone Formula: C29H30N4O2 MolecularWeight: 466.5741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)OCC(=O)N5CCCCC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)OCC(=O)N5CCCCC5)C

InChI

InChI=1S/C29H30N4O2/c1-20-10-15-26(21(2)18-20)30-29-25-9-5-4-8-24(25)28(31-32-29)22-11-13-23(14-12-22)35-19-27(34)33-16-6-3-7-17-33/h4-5,8-15,18H,3,6-7,16-17,19H2,1-2H3,(H,30,32)