[4-(azepan-1-yl)-3-nitro-phenyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[(2S)-2-methylindolin-1-yl]methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[(2S)-2-methylindolin-1-yl]methanone Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O3/c1-16-14-17-8-4-5-9-19(17)24(16)22(26)18-10-11-20(21(15-18)25(27)28)23-12-6-2-3-7-13-23/h4-5,8-11,15-16H,2-3,6-7,12-14H2,1H3/t16-/m0/s1