N'-[4-[(E)-3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]phenyl]-N-propyl-ethanediamide

Systemtic Name: N'-[4-[(E)-3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]phenyl]-N-propyl-ethanediamide Openeye Name: N'-[4-[(E)-3-(4-morpholino-2-quinolyl)prop-2-enoyl]phenyl]-N-propyl-oxamide CAS Name: N'-[4-[(E)-3-[4-(4-morpholinyl)-2-quinolinyl]-1-oxoprop-2-enyl]phenyl]-N-propyloxamide IUPAC Name: N'-[4-[(E)-3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]phenyl]-N-propyloxamide Traditional Name: N'-[4-[(E)-3-(4-morpholino-2-quinolyl)acryloyl]phenyl]-N-propyl-oxamide Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=O)NC1=CC=C(C=C1)C(=O)C=CC2=NC3=CC=CC=C3C(=C2)N4CCOCC4

Isomeric SMILES

CCCNC(=O)C(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=NC3=CC=CC=C3C(=C2)N4CCOCC4

InChI

InChI=1S/C27H28N4O4/c1-2-13-28-26(33)27(34)30-20-9-7-19(8-10-20)25(32)12-11-21-18-24(31-14-16-35-17-15-31)22-5-3-4-6-23(22)29-21/h3-12,18H,2,13-17H2,1H3,(H,28,33)(H,30,34)/b12-11+