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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)N2CCN(CC2)C3=NC=CC(=N3)NCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CNCCC1C(=O)N2CCN(CC2)C3=NC=CC(=N3)NCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H26Cl2N6O/c22-17-2-1-16(18(23)13-17)14-26-19-5-8-25-21(27-19)29-11-9-28(10-12-29)20(30)15-3-6-24-7-4-15/h1-2,5,8,13,15,24H,3-4,6-7,9-12,14H2,(H,25,26,27)