N-[2-[(3-bromophenyl)amino]-7-(3-imidazol-1-ylpropoxy)quinazolin-6-yl]prop-2-enamide

Systemtic Name: N-[2-[(3-bromophenyl)amino]-7-(3-imidazol-1-ylpropoxy)quinazolin-6-yl]prop-2-enamide Openeye Name: N-[2-(3-bromoanilino)-7-(3-imidazol-1-ylpropoxy)quinazolin-6-yl]prop-2-enamide CAS Name: N-[2-(3-bromoanilino)-7-[3-(1-imidazolyl)propoxy]-6-quinazolinyl]-2-propenamide IUPAC Name: N-[2-(3-bromoanilino)-7-(3-imidazol-1-ylpropoxy)quinazolin-6-yl]prop-2-enamide Traditional Name: N-[2-(3-bromoanilino)-7-(3-imidazol-1-ylpropoxy)quinazolin-6-yl]acrylamide Formula: C23H21BrN6O2 MolecularWeight: 493.35584

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=C(C=C2C(=C1)C=NC(=N2)NC3=CC(=CC=C3)Br)OCCCN4C=CN=C4

Isomeric SMILES

C=CC(=O)NC1=C(C=C2C(=C1)C=NC(=N2)NC3=CC(=CC=C3)Br)OCCCN4C=CN=C4

InChI

InChI=1S/C23H21BrN6O2/c1-2-22(31)28-20-11-16-14-26-23(27-18-6-3-5-17(24)12-18)29-19(16)13-21(20)32-10-4-8-30-9-7-25-15-30/h2-3,5-7,9,11-15H,1,4,8,10H2,(H,28,31)(H,26,27,29)