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4-(azepan-1-yl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide

4-(azepan-1-yl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide

Systemtic Name:4-(azepan-1-yl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide
Openeye Name:4-(azepan-1-yl)-3-nitro-N-(2-thienylmethyl)benzamide
CAS Name:4-(1-azepanyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide
IUPAC Name:4-(azepan-1-yl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide
Traditional Name:4-(azepan-1-yl)-3-nitro-N-(2-thenyl)benzamide
Formula: C18H21N3O3S
MolecularWeight: 359.44264
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CS3)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CS3)[N+](=O)[O-]


InChI

InChI=1S/C18H21N3O3S/c22-18(19-13-15-6-5-11-25-15)14-7-8-16(17(12-14)21(23)24)20-9-3-1-2-4-10-20/h5-8,11-12H,1-4,9-10,13H2,(H,19,22)


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