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

Systemtic Name: N-[(3-acetamidophenyl)methyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[(3-acetamidophenyl)methyl]-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[(3-acetamidophenyl)methyl]-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[(3-acetamidophenyl)methyl]-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(3-acetamidobenzyl)-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-15-5-4-10-25(14-15)20-9-8-18(12-21(20)26(29)30)22(28)23-13-17-6-3-7-19(11-17)24-16(2)27/h3,6-9,11-12,15H,4-5,10,13-14H2,1-2H3,(H,23,28)(H,24,27)