(2S)-N-(4-azanyl-2-methyl-phenyl)-2-(azepan-1-yl)propanamide

Systemtic Name: (2S)-N-(4-azanyl-2-methyl-phenyl)-2-(azepan-1-yl)propanamide Openeye Name: (2S)-N-(4-amino-2-methyl-phenyl)-2-(azepan-1-yl)propanamide CAS Name: (2S)-N-(4-amino-2-methylphenyl)-2-(1-azepanyl)propanamide IUPAC Name: (2S)-N-(4-amino-2-methylphenyl)-2-(azepan-1-yl)propanamide Traditional Name: (2S)-N-(4-amino-2-methyl-phenyl)-2-(azepan-1-yl)propionamide Formula: C16H25N3O MolecularWeight: 275.3892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)NC(=O)C(C)N2CCCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)N)NC(=O)[C@H](C)N2CCCCCC2

InChI

InChI=1S/C16H25N3O/c1-12-11-14(17)7-8-15(12)18-16(20)13(2)19-9-5-3-4-6-10-19/h7-8,11,13H,3-6,9-10,17H2,1-2H3,(H,18,20)/t13-/m0/s1