N-[(4-fluorophenyl)methyl]-5-[3-(4-nitrophenyl)prop-2-enoylamino]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-5-[3-(4-nitrophenyl)prop-2-enoylamino]-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[(4-fluorophenyl)methyl]-5-[3-(4-nitrophenyl)prop-2-enoylamino]-2-pyrrolidin-1-yl-benzamide CAS Name: N-[(4-fluorophenyl)methyl]-5-[[3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(4-fluorophenyl)methyl]-5-[3-(4-nitrophenyl)prop-2-enoylamino]-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(4-fluorobenzyl)-5-[[3-(4-nitrophenyl)acryloyl]amino]-2-pyrrolidino-benzamide Formula: C27H25FN4O4 MolecularWeight: 488.510203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H25FN4O4/c28-21-8-3-20(4-9-21)18-29-27(34)24-17-22(10-13-25(24)31-15-1-2-16-31)30-26(33)14-7-19-5-11-23(12-6-19)32(35)36/h3-14,17H,1-2,15-16,18H2,(H,29,34)(H,30,33)