N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(3-nitrophenyl)carbonylamino]benzamide

Systemtic Name: N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(3-nitrophenyl)carbonylamino]benzamide Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(3-nitrobenzoyl)amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-[[(3-nitrophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(3-nitrobenzoyl)amino]benzamide Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]-5-[(3-nitrobenzoyl)amino]-N-sec-butyl-benzamide Formula: C29H33N5O5 MolecularWeight: 531.60282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N5O5/c1-4-20(2)30-29(36)24-19-22(31-28(35)21-8-7-9-23(18-21)34(37)38)12-13-25(24)32-14-16-33(17-15-32)26-10-5-6-11-27(26)39-3/h5-13,18-20H,4,14-17H2,1-3H3,(H,30,36)(H,31,35)