1-(4-nitrophenoxy)-3-(4-phenethyl-1,4-diazepan-1-yl)propan-2-ol

Systemtic Name: 1-(4-nitrophenoxy)-3-(4-phenethyl-1,4-diazepan-1-yl)propan-2-ol Openeye Name: 1-(4-nitrophenoxy)-3-(4-phenethyl-1,4-diazepan-1-yl)propan-2-ol CAS Name: 1-(4-nitrophenoxy)-3-(4-phenethyl-1,4-diazepan-1-yl)-2-propanol IUPAC Name: 1-(4-nitrophenoxy)-3-(4-phenethyl-1,4-diazepan-1-yl)propan-2-ol Traditional Name: 1-(4-nitrophenoxy)-3-(4-phenethyl-1,4-diazepan-1-yl)propan-2-ol Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4/c26-21(18-29-22-9-7-20(8-10-22)25(27)28)17-24-13-4-12-23(15-16-24)14-11-19-5-2-1-3-6-19/h1-3,5-10,21,26H,4,11-18H2