1-[4-[7-[(2,4-dichlorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-pyrrolidin-1-yl-ethanone

Systemtic Name: 1-[4-[7-[(2,4-dichlorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-pyrrolidin-1-yl-ethanone Openeye Name: 1-[4-[7-[(2,4-dichlorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-pyrrolidin-1-yl-ethanone CAS Name: 1-[4-[7-[(2,4-dichlorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1-piperazinyl]-2-(1-pyrrolidinyl)ethanone IUPAC Name: 1-[4-[7-[(2,4-dichlorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone Traditional Name: 1-[4-[7-[(2,4-dichlorobenzyl)amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazino]-2-pyrrolidino-ethanone Formula: C22H26Cl2N8O MolecularWeight: 489.40084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(=O)N2CCN(CC2)C3=NC4=NC=NN4C(=C3)NCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCN(C1)CC(=O)N2CCN(CC2)C3=NC4=NC=NN4C(=C3)NCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C22H26Cl2N8O/c23-17-4-3-16(18(24)11-17)13-25-19-12-20(28-22-26-15-27-32(19)22)30-7-9-31(10-8-30)21(33)14-29-5-1-2-6-29/h3-4,11-12,15,25H,1-2,5-10,13-14H2