3-[[2-(3-bromophenyl)quinazolin-4-yl]-(phenylmethyl)amino]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(phenylmethyl)amino]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[benzyl-[2-(3-bromophenyl)quinazolin-4-yl]amino]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[[2-(3-bromophenyl)-4-quinazolinyl]-(phenylmethyl)amino]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[benzyl-[2-(3-bromophenyl)quinazolin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[benzyl-[2-(3-bromophenyl)quinazolin-4-yl]amino]-1-pyrrolidino-propan-1-one Formula: C28H27BrN4O MolecularWeight: 515.44418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCN(CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

C1CCN(C1)C(=O)CCN(CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C28H27BrN4O/c29-23-12-8-11-22(19-23)27-30-25-14-5-4-13-24(25)28(31-27)33(20-21-9-2-1-3-10-21)18-15-26(34)32-16-6-7-17-32/h1-5,8-14,19H,6-7,15-18,20H2