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

Systemtic Name: 2-imidazol-1-ylethyl 2-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]carbamoyl]but-3-enoate Openeye Name: 2-imidazol-1-ylethyl 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-(1-imidazolyl)ethyl ester IUPAC Name: 2-imidazol-1-ylethyl 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-imidazol-1-ylethyl ester Formula: C24H21BrN6O3 MolecularWeight: 521.36594

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)C(=O)OCCN4C=CN=C4

Isomeric SMILES

C=CC(C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)C(=O)OCCN4C=CN=C4

InChI

InChI=1S/C24H21BrN6O3/c1-2-19(24(33)34-11-10-31-9-8-26-15-31)23(32)30-18-6-7-21-20(13-18)22(28-14-27-21)29-17-5-3-4-16(25)12-17/h2-9,12-15,19H,1,10-11H2,(H,30,32)(H,27,28,29)