1-(3-nitrophenoxy)-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-ol

Systemtic Name: 1-(3-nitrophenoxy)-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-ol Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-(3-nitrophenoxy)propan-2-ol CAS Name: 1-(3-nitrophenoxy)-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-propanol IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-(3-nitrophenoxy)propan-2-ol Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-(3-nitrophenoxy)propan-2-ol Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4/c25-20(17-28-21-9-4-8-19(14-21)24(26)27)16-23-11-5-10-22(12-13-23)15-18-6-2-1-3-7-18/h1-4,6-9,14,20,25H,5,10-13,15-17H2