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

Systemtic Name: 4-chloranyl-N-[3-(3-ethoxypropylcarbamoyl)-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[4-(4-benzyl-1-piperidyl)-3-(3-ethoxypropylcarbamoyl)phenyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-N-[3-[(3-ethoxypropylamino)-oxomethyl]-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[4-(4-benzylpiperidino)-3-(3-ethoxypropylcarbamoyl)phenyl]-4-chloro-3-nitro-benzamide Formula: C31H35ClN4O5 MolecularWeight: 579.0864

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H35ClN4O5/c1-2-41-18-6-15-33-31(38)26-21-25(34-30(37)24-9-11-27(32)29(20-24)36(39)40)10-12-28(26)35-16-13-23(14-17-35)19-22-7-4-3-5-8-22/h3-5,7-12,20-21,23H,2,6,13-19H2,1H3,(H,33,38)(H,34,37)