2-[4-[4-[(3,4-dichlorophenyl)amino]phthalazin-1-yl]phenoxy]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-[(3,4-dichlorophenyl)amino]phthalazin-1-yl]phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[4-(3,4-dichloroanilino)phthalazin-1-yl]phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[4-(3,4-dichloroanilino)-1-phthalazinyl]phenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[4-(3,4-dichloroanilino)phthalazin-1-yl]phenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[4-(3,4-dichloroanilino)phthalazin-1-yl]phenoxy]-1-piperidino-ethanone Formula: C27H24Cl2N4O2 MolecularWeight: 507.41106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NN=C(C4=CC=CC=C43)NC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NN=C(C4=CC=CC=C43)NC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H24Cl2N4O2/c28-23-13-10-19(16-24(23)29)30-27-22-7-3-2-6-21(22)26(31-32-27)18-8-11-20(12-9-18)35-17-25(34)33-14-4-1-5-15-33/h2-3,6-13,16H,1,4-5,14-15,17H2,(H,30,32)