(4-chloranyl-2-nitro-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-chloranyl-2-nitro-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(4-chloro-2-nitro-phenyl)methanone CAS Name: (4-chloro-2-nitrophenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(4-chloro-2-nitrophenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(4-chloro-2-nitro-phenyl)methanone Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c20-16-7-8-17(18(13-16)23(25)26)19(24)22-10-4-9-21(11-12-22)14-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14H2