(E)-N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-(4-piperidin-1-ylpiperidin-1-yl)but-2-enamide

Systemtic Name: (E)-N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-(4-piperidin-1-ylpiperidin-1-yl)but-2-enamide Openeye Name: (E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-[4-(1-piperidyl)-1-piperidyl]but-2-enamide CAS Name: (E)-N-[4-(3-bromoanilino)-6-quinazolinyl]-4-[4-(1-piperidinyl)-1-piperidinyl]-2-butenamide IUPAC Name: (E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(4-piperidin-1-ylpiperidin-1-yl)but-2-enamide Traditional Name: (E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(4-piperidinopiperidino)but-2-enamide Formula: C28H33BrN6O MolecularWeight: 549.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)CC=CC(=O)NC3=CC4=C(C=C3)N=CN=C4NC5=CC(=CC=C5)Br

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C/C=C/C(=O)NC3=CC4=C(C=C3)N=CN=C4NC5=CC(=CC=C5)Br

InChI

InChI=1S/C28H33BrN6O/c29-21-6-4-7-22(18-21)33-28-25-19-23(9-10-26(25)30-20-31-28)32-27(36)8-5-13-34-16-11-24(12-17-34)35-14-2-1-3-15-35/h4-10,18-20,24H,1-3,11-17H2,(H,32,36)(H,30,31,33)/b8-5+