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

Systemtic Name: 7-nitro-5-phenyl-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride Openeye Name: 7-nitro-5-phenyl-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride CAS Name: 7-nitro-5-phenyl-4-[2-(1-pyrrolidinyl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride IUPAC Name: 7-nitro-5-phenyl-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride Traditional Name: 7-nitro-5-phenyl-4-(2-pyrrolidinoethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride Formula: C21H27Cl2N3O3 MolecularWeight: 440.36338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2CCOC3=C(C2C4=CC=CC=C4)C=C(C=C3)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

C1CCN(C1)CCN2CCOC3=C(C2C4=CC=CC=C4)C=C(C=C3)[N+](=O)[O-].Cl.Cl

InChI

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