2-chloranyl-4-nitro-N-[2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide hydrate

Systemtic Name: 2-chloranyl-4-nitro-N-[2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide hydrate Openeye Name: 2-chloro-4-nitro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide hydrate CAS Name: 2-chloro-4-nitro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]benzamide hydrate IUPAC Name: 2-chloro-4-nitro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide hydrate Traditional Name: 2-chloro-N-[2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]ethyl]-4-nitro-benzamide hydrate Formula: C21H24ClN5O5 MolecularWeight: 461.89876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl.O

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl.O

InChI

InChI=1S/C21H22ClN5O4.H2O/c22-17-13-15(27(30)31)5-6-16(17)20(28)23-9-12-25-10-7-14(8-11-25)26-19-4-2-1-3-18(19)24-21(26)29;/h1-6,13-14H,7-12H2,(H,23,28)(H,24,29);1H2