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

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)phenyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)phenyl]-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-[2-(1H-benzimidazol-2-yl)phenyl]-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)phenyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)phenyl]-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O3/c1-17-7-6-14-30(16-17)23-13-12-18(15-24(23)31(33)34)26(32)29-20-9-3-2-8-19(20)25-27-21-10-4-5-11-22(21)28-25/h2-5,8-13,15,17H,6-7,14,16H2,1H3,(H,27,28)(H,29,32)/t17-/m0/s1