5-(2-fluorophenyl)-7-nitro-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride

Systemtic Name: 5-(2-fluorophenyl)-7-nitro-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride Openeye Name: 5-(2-fluorophenyl)-7-nitro-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride CAS Name: 5-(2-fluorophenyl)-7-nitro-4-[2-(1-pyrrolidinyl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride IUPAC Name: 5-(2-fluorophenyl)-7-nitro-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride Traditional Name: 5-(2-fluorophenyl)-7-nitro-4-(2-pyrrolidinoethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride Formula: C21H26Cl2FN3O3 MolecularWeight: 458.353843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2CCOC3=C(C2C4=CC=CC=C4F)C=C(C=C3)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

C1CCN(C1)CCN2CCOC3=C(C2C4=CC=CC=C4F)C=C(C=C3)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C21H24FN3O3.2ClH/c22-19-6-2-1-5-17(19)21-18-15-16(25(26)27)7-8-20(18)28-14-13-24(21)12-11-23-9-3-4-10-23;;/h1-2,5-8,15,21H,3-4,9-14H2;2*1H