(2S)-2-[[4-(azepan-1-yl)phenyl]amino]-N-(methylcarbamoyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[[4-(azepan-1-yl)phenyl]amino]-N-(methylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(azepan-1-yl)anilino]-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-(1-azepanyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(azepan-1-yl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(azepan-1-yl)anilino]-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H28N4O2/c1-23-22(28)25-21(27)20(17-9-5-4-6-10-17)24-18-11-13-19(14-12-18)26-15-7-2-3-8-16-26/h4-6,9-14,20,24H,2-3,7-8,15-16H2,1H3,(H2,23,25,27,28)/t20-/m0/s1