N-[3-(butan-2-ylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[3-(butan-2-ylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-4-chloranyl-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(sec-butylcarbamoyl)phenyl]-3-nitro-benzamide CAS Name: N-[3-[(butan-2-ylamino)-oxomethyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]phenyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[3-(butan-2-ylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-4-chloro-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-[4-(2-methoxyphenyl)piperazino]-3-(sec-butylcarbamoyl)phenyl]-3-nitro-benzamide Formula: C29H32ClN5O5 MolecularWeight: 566.04788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C29H32ClN5O5/c1-4-19(2)31-29(37)22-18-21(32-28(36)20-9-11-23(30)26(17-20)35(38)39)10-12-24(22)33-13-15-34(16-14-33)25-7-5-6-8-27(25)40-3/h5-12,17-19H,4,13-16H2,1-3H3,(H,31,37)(H,32,36)