(2S)-2-[[4-(azepan-1-yl)phenyl]amino]-N-(2-nitrophenyl)propanamide

Systemtic Name: (2S)-2-[[4-(azepan-1-yl)phenyl]amino]-N-(2-nitrophenyl)propanamide Openeye Name: (2S)-2-[4-(azepan-1-yl)anilino]-N-(2-nitrophenyl)propanamide CAS Name: (2S)-2-[4-(1-azepanyl)anilino]-N-(2-nitrophenyl)propanamide IUPAC Name: (2S)-2-[4-(azepan-1-yl)anilino]-N-(2-nitrophenyl)propanamide Traditional Name: (2S)-2-[4-(azepan-1-yl)anilino]-N-(2-nitrophenyl)propionamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C21H26N4O3/c1-16(21(26)23-19-8-4-5-9-20(19)25(27)28)22-17-10-12-18(13-11-17)24-14-6-2-3-7-15-24/h4-5,8-13,16,22H,2-3,6-7,14-15H2,1H3,(H,23,26)/t16-/m0/s1