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azepan-1-yl-[4-(cyclopropylamino)-3-nitro-phenyl]methanone

azepan-1-yl-[4-(cyclopropylamino)-3-nitro-phenyl]methanone

Systemtic Name:azepan-1-yl-[4-(cyclopropylamino)-3-nitro-phenyl]methanone
Openeye Name:azepan-1-yl-[4-(cyclopropylamino)-3-nitro-phenyl]methanone
CAS Name:1-azepanyl-[4-(cyclopropylamino)-3-nitrophenyl]methanone
IUPAC Name:azepan-1-yl-[4-(cyclopropylamino)-3-nitrophenyl]methanone
Traditional Name:azepan-1-yl-[4-(cyclopropylamino)-3-nitro-phenyl]methanone
Formula: C16H21N3O3
MolecularWeight: 303.35624
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]


InChI

InChI=1S/C16H21N3O3/c20-16(18-9-3-1-2-4-10-18)12-5-8-14(17-13-6-7-13)15(11-12)19(21)22/h5,8,11,13,17H,1-4,6-7,9-10H2


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