N-[3-(3-ethoxypropylcarbamoyl)-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[3-(3-ethoxypropylcarbamoyl)-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-(4-benzyl-1-piperidyl)-3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[3-[(3-ethoxypropylamino)-oxomethyl]-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-(4-benzylpiperidino)-3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide Formula: C32H38N4O5 MolecularWeight: 558.66792

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C32H38N4O5/c1-3-41-19-7-16-33-32(38)28-22-27(34-31(37)26-11-10-23(2)30(21-26)36(39)40)12-13-29(28)35-17-14-25(15-18-35)20-24-8-5-4-6-9-24/h4-6,8-13,21-22,25H,3,7,14-20H2,1-2H3,(H,33,38)(H,34,37)