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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-(cyclopropylamino)-3-nitro-benzamide Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3/c31-25(17-10-13-21(26-18-11-12-18)23(15-17)30(32)33)29-22(14-16-6-2-1-3-7-16)24-27-19-8-4-5-9-20(19)28-24/h1-10,13,15,18,22,26H,11-12,14H2,(H,27,28)(H,29,31)/t22-/m0/s1