N-butan-2-yl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-2-piperidin-1-yl-benzamide

Systemtic Name: N-butan-2-yl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-2-piperidin-1-yl-benzamide Openeye Name: 5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-2-(1-piperidyl)-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-5-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-2-(1-piperidinyl)benzamide IUPAC Name: N-butan-2-yl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-2-piperidin-1-ylbenzamide Traditional Name: 5-[[(E)-3-(4-nitrophenyl)acryloyl]amino]-2-piperidino-N-sec-butyl-benzamide Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C25H30N4O4/c1-3-18(2)26-25(31)22-17-20(10-13-23(22)28-15-5-4-6-16-28)27-24(30)14-9-19-7-11-21(12-8-19)29(32)33/h7-14,17-18H,3-6,15-16H2,1-2H3,(H,26,31)(H,27,30)/b14-9+