N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-chloranyl-2-nitro-phenyl)piperazine-1-carboxamide

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-chloranyl-2-nitro-phenyl)piperazine-1-carboxamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-chloro-2-nitro-phenyl)piperazine-1-carboxamide CAS Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-chloro-2-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-chloro-2-nitrophenyl)piperazine-1-carboxamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-chloro-2-nitro-phenyl)piperazine-1-carboxamide Formula: C20H21ClN6O3 MolecularWeight: 428.87214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)NCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)NCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21ClN6O3/c21-14-5-6-17(18(13-14)27(29)30)25-9-11-26(12-10-25)20(28)22-8-7-19-23-15-3-1-2-4-16(15)24-19/h1-6,13H,7-12H2,(H,22,28)(H,23,24)