4-azanyl-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-azanyl-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-nitro-benzamide Openeye Name: 4-amino-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-nitro-benzamide CAS Name: 4-amino-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-nitrobenzamide IUPAC Name: 4-amino-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-nitrobenzamide Traditional Name: 4-amino-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-nitro-benzamide Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C2=NC3=CC=CC=C3N2)NC(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3/c23-16-11-10-15(13-20(16)27(29)30)22(28)26-19(12-14-6-2-1-3-7-14)21-24-17-8-4-5-9-18(17)25-21/h1-11,13,19H,12,23H2,(H,24,25)(H,26,28)/t19-/m0/s1