N-[(3,4-dichlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(3,4-dichlorobenzyl)-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C20H21Cl2N3O3 MolecularWeight: 422.30504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21Cl2N3O3/c1-13-3-2-8-24(12-13)18-7-5-15(10-19(18)25(27)28)20(26)23-11-14-4-6-16(21)17(22)9-14/h4-7,9-10,13H,2-3,8,11-12H2,1H3,(H,23,26)