4-(3-chlorophenyl)-6-methyl-N-(3-phenylpropyl)-2-piperazin-1-yl-pyrimidine-5-carboxamide

Systemtic Name: 4-(3-chlorophenyl)-6-methyl-N-(3-phenylpropyl)-2-piperazin-1-yl-pyrimidine-5-carboxamide Openeye Name: 4-(3-chlorophenyl)-6-methyl-N-(3-phenylpropyl)-2-piperazin-1-yl-pyrimidine-5-carboxamide CAS Name: 4-(3-chlorophenyl)-6-methyl-N-(3-phenylpropyl)-2-(1-piperazinyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(3-chlorophenyl)-6-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpyrimidine-5-carboxamide Traditional Name: 4-(3-chlorophenyl)-6-methyl-N-(3-phenylpropyl)-2-piperazino-pyrimidine-5-carboxamide Formula: C25H28ClN5O MolecularWeight: 449.97572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=CC(=CC=C3)Cl)N4CCNCC4

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=CC(=CC=C3)Cl)N4CCNCC4

InChI

InChI=1S/C25H28ClN5O/c1-18-22(24(32)28-12-6-9-19-7-3-2-4-8-19)23(20-10-5-11-21(26)17-20)30-25(29-18)31-15-13-27-14-16-31/h2-5,7-8,10-11,17,27H,6,9,12-16H2,1H3,(H,28,32)