[4-(azepan-1-yl)-3-nitro-phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-[4-(2-hydroxyphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(2-hydroxyphenyl)piperazino]methanone Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4O)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c28-22-8-4-3-7-20(22)25-13-15-26(16-14-25)23(29)18-9-10-19(21(17-18)27(30)31)24-11-5-1-2-6-12-24/h3-4,7-10,17,28H,1-2,5-6,11-16H2