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

Systemtic Name: 5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-2-(1-piperidyl)-N-(3-pyridylmethyl)benzamide CAS Name: 5-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-2-(1-piperidinyl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-[[(E)-3-(4-nitrophenyl)acryloyl]amino]-2-piperidino-N-(3-pyridylmethyl)benzamide Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C27H27N5O4/c33-26(13-8-20-6-10-23(11-7-20)32(35)36)30-22-9-12-25(31-15-2-1-3-16-31)24(17-22)27(34)29-19-21-5-4-14-28-18-21/h4-14,17-18H,1-3,15-16,19H2,(H,29,34)(H,30,33)/b13-8+