N-[4-[(3-bromophenyl)amino]-7-[3-(1-methylpiperidin-4-yl)propoxy]quinazolin-6-yl]but-2-ynamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]-7-[3-(1-methylpiperidin-4-yl)propoxy]quinazolin-6-yl]but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-7-[3-(1-methyl-4-piperidyl)propoxy]quinazolin-6-yl]but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-7-[3-(1-methyl-4-piperidinyl)propoxy]-6-quinazolinyl]-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-7-[3-(1-methylpiperidin-4-yl)propoxy]quinazolin-6-yl]but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-7-[3-(1-methyl-4-piperidyl)propoxy]quinazolin-6-yl]but-2-ynamide Formula: C27H30BrN5O2 MolecularWeight: 536.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OCCCC4CCN(CC4)C

Isomeric SMILES

CC#CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OCCCC4CCN(CC4)C

InChI

InChI=1S/C27H30BrN5O2/c1-3-6-26(34)32-24-16-22-23(29-18-30-27(22)31-21-9-4-8-20(28)15-21)17-25(24)35-14-5-7-19-10-12-33(2)13-11-19/h4,8-9,15-19H,5,7,10-14H2,1-2H3,(H,32,34)(H,29,30,31)