1-(2-chloranyl-4-nitro-phenyl)-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-(2-chloro-4-nitro-phenyl)-1,4-diazepane CAS Name: 1-(2-chloro-4-nitrophenyl)-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-(2-chloro-4-nitrophenyl)-1,4-diazepane Traditional Name: 1-benzyl-4-(2-chloro-4-nitro-phenyl)-1,4-diazepane Formula: C18H20ClN3O2 MolecularWeight: 345.8233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O2/c19-17-13-16(22(23)24)7-8-18(17)21-10-4-9-20(11-12-21)14-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14H2