N-(1-adamantyl)-4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[2-(4-chlorophenyl)-5,6-dimethyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C27H34ClN5O MolecularWeight: 480.04476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)Cl)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)Cl)C

InChI

InChI=1S/C27H34ClN5O/c1-17-18(2)29-24(22-3-5-23(28)6-4-22)30-25(17)32-7-9-33(10-8-32)26(34)31-27-14-19-11-20(15-27)13-21(12-19)16-27/h3-6,19-21H,7-16H2,1-2H3,(H,31,34)