N-(3-morpholin-4-ylpropyl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(3-morpholinopropyl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-2-pyrrolidin-1-yl-benzamide CAS Name: N-[3-(4-morpholinyl)propyl]-5-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(3-morpholinopropyl)-5-[[(E)-3-(4-nitrophenyl)acryloyl]amino]-2-pyrrolidino-benzamide Formula: C27H33N5O5 MolecularWeight: 507.58142

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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)NCCCN4CCOCC4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCCCN4CCOCC4

InChI

InChI=1S/C27H33N5O5/c33-26(11-6-21-4-8-23(9-5-21)32(35)36)29-22-7-10-25(31-14-1-2-15-31)24(20-22)27(34)28-12-3-13-30-16-18-37-19-17-30/h4-11,20H,1-3,12-19H2,(H,28,34)(H,29,33)/b11-6+