(E)-1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-3-(2-bromophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-3-(2-bromophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(2-bromophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-3-(2-bromophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(2-bromophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-3-(2-bromophenyl)prop-2-en-1-one Formula: C22H22BrN5O MolecularWeight: 452.34698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)C=CC4=CC=CC=C4Br

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)/C=C/C4=CC=CC=C4Br

InChI

InChI=1S/C22H22BrN5O/c23-18-7-3-1-5-16(18)9-10-21(29)28-13-11-27(12-14-28)15-20-25-19-8-4-2-6-17(19)22(24)26-20/h1-10H,11-15H2,(H2,24,25,26)/b10-9+