(3S)-N3-(3-iodanyl-4-methyl-phenyl)piperidine-1,3-dicarboxamide

Systemtic Name: (3S)-N3-(3-iodanyl-4-methyl-phenyl)piperidine-1,3-dicarboxamide Openeye Name: (3S)-N3-(3-iodo-4-methyl-phenyl)piperidine-1,3-dicarboxamide CAS Name: (3S)-N3-(3-iodo-4-methylphenyl)piperidine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-(3-iodo-4-methylphenyl)piperidine-1,3-dicarboxamide Traditional Name: (3S)-N'-(3-iodo-4-methyl-phenyl)piperidine-1,3-dicarboxamide Formula: C14H18IN3O2 MolecularWeight: 387.21609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C(=O)N)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H]2CCCN(C2)C(=O)N)I

InChI

InChI=1S/C14H18IN3O2/c1-9-4-5-11(7-12(9)15)17-13(19)10-3-2-6-18(8-10)14(16)20/h4-5,7,10H,2-3,6,8H2,1H3,(H2,16,20)(H,17,19)/t10-/m0/s1