1-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-(3-nitrobenzyl)-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c25-21(11-10-18-6-2-1-3-7-18)23-13-5-12-22(14-15-23)17-19-8-4-9-20(16-19)24(26)27/h1-4,6-9,16H,5,10-15,17H2