4-(azepan-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-[(1S)-1-methylpropyl]phenyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-[(2S)-butan-2-yl]phenyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-[(1S)-1-methylpropyl]phenyl]-3-nitro-benzamide Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O3/c1-3-17(2)19-10-6-7-11-20(19)24-23(27)18-12-13-21(22(16-18)26(28)29)25-14-8-4-5-9-15-25/h6-7,10-13,16-17H,3-5,8-9,14-15H2,1-2H3,(H,24,27)/t17-/m0/s1