2-(2-nitrophenyl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2-nitrophenyl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-nitrophenyl)ethanone CAS Name: 2-(2-nitrophenyl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-nitrophenyl)ethanone Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-nitrophenyl)ethanone Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3/c24-20(15-18-9-4-5-10-19(18)23(25)26)22-12-6-11-21(13-14-22)16-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2