4-(azepan-1-yl)-N-(2-methyl-6-propan-2-yl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(2-methyl-6-propan-2-yl-phenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2-isopropyl-6-methyl-phenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2-methyl-6-propan-2-ylphenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2-isopropyl-6-methyl-phenyl)-3-nitro-benzamide Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O3/c1-16(2)19-10-8-9-17(3)22(19)24-23(27)18-11-12-20(21(15-18)26(28)29)25-13-6-4-5-7-14-25/h8-12,15-16H,4-7,13-14H2,1-3H3,(H,24,27)