N-[4-[(3-bromophenyl)amino]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-6-yl]prop-2-enamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-6-yl]prop-2-enamide Openeye Name: N-[4-(3-bromoanilino)-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-6-yl]prop-2-enamide CAS Name: N-[4-(3-bromoanilino)-7-[3-(4-methyl-1-piperazinyl)propoxy]-6-quinazolinyl]-2-propenamide IUPAC Name: N-[4-(3-bromoanilino)-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-6-yl]prop-2-enamide Traditional Name: N-[4-(3-bromoanilino)-7-[3-(4-methylpiperazino)propoxy]quinazolin-6-yl]acrylamide Formula: C25H29BrN6O2 MolecularWeight: 525.44076

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)NC(=O)C=C

Isomeric SMILES

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)NC(=O)C=C

InChI

InChI=1S/C25H29BrN6O2/c1-3-24(33)30-22-15-20-21(27-17-28-25(20)29-19-7-4-6-18(26)14-19)16-23(22)34-13-5-8-32-11-9-31(2)10-12-32/h3-4,6-7,14-17H,1,5,8-13H2,2H3,(H,30,33)(H,27,28,29)