3-bromanyl-4-ethoxy-5-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-5-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide Openeye Name: 3-bromo-4-ethoxy-5-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide CAS Name: 3-bromo-4-ethoxy-5-methoxy-N-[3-(1-pyrrolidinyl)-2-quinoxalinyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-5-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide Traditional Name: 3-bromo-4-ethoxy-5-methoxy-N-(3-pyrrolidinoquinoxalin-2-yl)benzamide Formula: C22H23BrN4O3 MolecularWeight: 471.34702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NC2=NC3=CC=CC=C3N=C2N4CCCC4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)NC2=NC3=CC=CC=C3N=C2N4CCCC4)OC

InChI

InChI=1S/C22H23BrN4O3/c1-3-30-19-15(23)12-14(13-18(19)29-2)22(28)26-20-21(27-10-6-7-11-27)25-17-9-5-4-8-16(17)24-20/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,24,26,28)