(E)-3-[(3-bromophenyl)amino]-N-[3-(4-methylpiperazin-1-yl)propoxy]-2-quinazolin-6-yl-prop-2-enamide

Systemtic Name: (E)-3-[(3-bromophenyl)amino]-N-[3-(4-methylpiperazin-1-yl)propoxy]-2-quinazolin-6-yl-prop-2-enamide Openeye Name: (E)-3-(3-bromoanilino)-N-[3-(4-methylpiperazin-1-yl)propoxy]-2-quinazolin-6-yl-prop-2-enamide CAS Name: (E)-3-(3-bromoanilino)-N-[3-(4-methyl-1-piperazinyl)propoxy]-2-(6-quinazolinyl)-2-propenamide IUPAC Name: (E)-3-(3-bromoanilino)-N-[3-(4-methylpiperazin-1-yl)propoxy]-2-quinazolin-6-ylprop-2-enamide Traditional Name: (E)-3-(3-bromoanilino)-N-[3-(4-methylpiperazino)propoxy]-2-quinazolin-6-yl-acrylamide Formula: C25H29BrN6O2 MolecularWeight: 525.44076

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCONC(=O)C(=CNC2=CC(=CC=C2)Br)C3=CC4=CN=CN=C4C=C3

Isomeric SMILES

CN1CCN(CC1)CCCONC(=O)/C(=C/NC2=CC(=CC=C2)Br)/C3=CC4=CN=CN=C4C=C3

InChI

InChI=1S/C25H29BrN6O2/c1-31-9-11-32(12-10-31)8-3-13-34-30-25(33)23(17-28-22-5-2-4-21(26)15-22)19-6-7-24-20(14-19)16-27-18-29-24/h2,4-7,14-18,28H,3,8-13H2,1H3,(H,30,33)/b23-17+