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

Systemtic Name: N-(1H-benzimidazol-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(1H-benzimidazol-2-yl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(1H-benzimidazol-2-yl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(1H-benzimidazol-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(1H-benzimidazol-2-yl)-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-13-5-4-10-24(12-13)17-9-8-14(11-18(17)25(27)28)19(26)23-20-21-15-6-2-3-7-16(15)22-20/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H2,21,22,23,26)/t13-/m0/s1