4-[(2S)-2-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(4-cyanophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[(2S)-2-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(4-cyanophenyl)piperazine-1-carboxamide Openeye Name: 4-[(2S)-2-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(4-cyanophenyl)piperazine-1-carboxamide CAS Name: 4-[(2S)-2-acetamido-3-(4-methoxyphenyl)-1-oxopropyl]-N-(4-cyanophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[(2S)-2-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(4-cyanophenyl)piperazine-1-carboxamide Traditional Name: 4-[(2S)-2-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(4-cyanophenyl)piperazine-1-carboxamide Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H27N5O4/c1-17(30)26-22(15-18-5-9-21(33-2)10-6-18)23(31)28-11-13-29(14-12-28)24(32)27-20-7-3-19(16-25)4-8-20/h3-10,22H,11-15H2,1-2H3,(H,26,30)(H,27,32)/t22-/m0/s1