4-chloranyl-3-nitro-N-[4-[4-(phenylmethyl)piperidin-1-yl]-3-(propan-2-ylcarbamoyl)phenyl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[4-[4-(phenylmethyl)piperidin-1-yl]-3-(propan-2-ylcarbamoyl)phenyl]benzamide Openeye Name: N-[4-(4-benzyl-1-piperidyl)-3-(isopropylcarbamoyl)phenyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-3-nitro-N-[3-[oxo-(propan-2-ylamino)methyl]-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)-3-(propan-2-ylcarbamoyl)phenyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[4-(4-benzylpiperidino)-3-(isopropylcarbamoyl)phenyl]-4-chloro-3-nitro-benzamide Formula: C29H31ClN4O4 MolecularWeight: 535.03384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=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

CC(C)NC(=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/C29H31ClN4O4/c1-19(2)31-29(36)24-18-23(32-28(35)22-8-10-25(30)27(17-22)34(37)38)9-11-26(24)33-14-12-21(13-15-33)16-20-6-4-3-5-7-20/h3-11,17-19,21H,12-16H2,1-2H3,(H,31,36)(H,32,35)