N-[3-(methylcarbamoyl)phenyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[3-(methylcarbamoyl)phenyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[3-(methylcarbamoyl)phenyl]-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[3-(methylcarbamoyl)phenyl]-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[3-(methylcarbamoyl)phenyl]-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[3-(methylcarbamoyl)phenyl]-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-14-5-4-10-24(13-14)18-9-8-16(12-19(18)25(28)29)21(27)23-17-7-3-6-15(11-17)20(26)22-2/h3,6-9,11-12,14H,4-5,10,13H2,1-2H3,(H,22,26)(H,23,27)