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

Systemtic Name: 5-(4-chlorophenyl)-7-nitro-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 5-(4-chlorophenyl)-7-nitro-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 5-(4-chlorophenyl)-7-nitro-4-[2-(1-pyrrolidinyl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 5-(4-chlorophenyl)-7-nitro-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 5-(4-chlorophenyl)-7-nitro-4-(2-pyrrolidinoethyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c22-17-5-3-16(4-6-17)21-19-15-18(25(26)27)7-8-20(19)28-14-13-24(21)12-11-23-9-1-2-10-23/h3-8,15,21H,1-2,9-14H2