2-(4-methylpiperazin-1-yl)ethyl 2-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]carbamoyl]but-3-enoate

Systemtic Name: 2-(4-methylpiperazin-1-yl)ethyl 2-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]carbamoyl]but-3-enoate Openeye Name: 2-(4-methylpiperazin-1-yl)ethyl 2-[[4-(3-bromoanilino)quinazolin-6-yl]carbamoyl]but-3-enoate CAS Name: 2-[[[4-(3-bromoanilino)-6-quinazolinyl]amino]-oxomethyl]-3-butenoic acid 2-(4-methyl-1-piperazinyl)ethyl ester IUPAC Name: 2-(4-methylpiperazin-1-yl)ethyl 2-[[4-(3-bromoanilino)quinazolin-6-yl]carbamoyl]but-3-enoate Traditional Name: 2-[[4-(3-bromoanilino)quinazolin-6-yl]carbamoyl]but-3-enoic acid 2-(4-methylpiperazino)ethyl ester Formula: C26H29BrN6O3 MolecularWeight: 553.45086

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCOC(=O)C(C=C)C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

Isomeric SMILES

CN1CCN(CC1)CCOC(=O)C(C=C)C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

InChI

InChI=1S/C26H29BrN6O3/c1-3-21(26(35)36-14-13-33-11-9-32(2)10-12-33)25(34)31-20-7-8-23-22(16-20)24(29-17-28-23)30-19-6-4-5-18(27)15-19/h3-8,15-17,21H,1,9-14H2,2H3,(H,31,34)(H,28,29,30)