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

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[[4-[(3-methyl-1-piperidyl)methyl]phenyl]methyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[[4-[(3-methyl-1-piperidinyl)methyl]phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[4-[(3-methylpiperidino)methyl]benzyl]-3-nitro-benzamide Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C27H35N5O4/c1-20-4-3-11-29(18-20)19-23-7-5-22(6-8-23)17-28-27(34)24-9-10-25(26(16-24)32(35)36)31-14-12-30(13-15-31)21(2)33/h5-10,16,20H,3-4,11-15,17-19H2,1-2H3,(H,28,34)