[4-(azepan-1-yl)-3-nitro-phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O3/c26-22(24-15-7-9-17-8-3-4-10-19(17)24)18-11-12-20(21(16-18)25(27)28)23-13-5-1-2-6-14-23/h3-4,8,10-12,16H,1-2,5-7,9,13-15H2