[4-[(E)-2-azanyl-2-nitro-ethenyl]-2-(butylamino)piperidin-1-yl]-(4-imidazol-1-ylphenyl)methanone

Systemtic Name: [4-[(E)-2-azanyl-2-nitro-ethenyl]-2-(butylamino)piperidin-1-yl]-(4-imidazol-1-ylphenyl)methanone Openeye Name: [4-[(E)-2-amino-2-nitro-vinyl]-2-(butylamino)-1-piperidyl]-(4-imidazol-1-ylphenyl)methanone CAS Name: [4-[(E)-2-amino-2-nitroethenyl]-2-(butylamino)-1-piperidinyl]-[4-(1-imidazolyl)phenyl]methanone IUPAC Name: [4-[(E)-2-amino-2-nitroethenyl]-2-(butylamino)piperidin-1-yl]-(4-imidazol-1-ylphenyl)methanone Traditional Name: [4-[(E)-2-amino-2-nitro-vinyl]-2-(butylamino)piperidino]-(4-imidazol-1-ylphenyl)methanone Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1CC(CCN1C(=O)C2=CC=C(C=C2)N3C=CN=C3)C=C(N)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1CC(CCN1C(=O)C2=CC=C(C=C2)N3C=CN=C3)/C=C(\N)/[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O3/c1-2-3-9-24-20-14-16(13-19(22)27(29)30)8-11-26(20)21(28)17-4-6-18(7-5-17)25-12-10-23-15-25/h4-7,10,12-13,15-16,20,24H,2-3,8-9,11,14,22H2,1H3/b19-13+