1-[3-nitro-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]phenyl]ethanone Openeye Name: 1-[4-(4-benzyl-1,4-diazepan-1-yl)-3-nitro-phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]phenyl]ethanone IUPAC Name: 1-[4-(4-benzyl-1,4-diazepan-1-yl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(4-benzyl-1,4-diazepan-1-yl)-3-nitro-phenyl]ethanone Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3/c1-16(24)18-8-9-19(20(14-18)23(25)26)22-11-5-10-21(12-13-22)15-17-6-3-2-4-7-17/h2-4,6-9,14H,5,10-13,15H2,1H3