[4-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]piperazin-1-yl]-piperidin-3-yl-methanone

Systemtic Name: [4-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]piperazin-1-yl]-piperidin-3-yl-methanone Openeye Name: [4-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]piperazin-1-yl]-(3-piperidyl)methanone CAS Name: [4-[4-[(2,4-dichlorophenyl)methylamino]-2-pyrimidinyl]-1-piperazinyl]-(3-piperidinyl)methanone IUPAC Name: [4-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]piperazin-1-yl]-piperidin-3-ylmethanone Traditional Name: [4-[4-[(2,4-dichlorobenzyl)amino]pyrimidin-2-yl]piperazino]-(3-piperidyl)methanone Formula: C21H26Cl2N6O MolecularWeight: 449.37674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(=O)N2CCN(CC2)C3=NC=CC(=N3)NCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CC(CNC1)C(=O)N2CCN(CC2)C3=NC=CC(=N3)NCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H26Cl2N6O/c22-17-4-3-15(18(23)12-17)14-26-19-5-7-25-21(27-19)29-10-8-28(9-11-29)20(30)16-2-1-6-24-13-16/h3-5,7,12,16,24H,1-2,6,8-11,13-14H2,(H,25,26,27)