ethyl 2-[4-[[6-azanyl-4-[(3-bromophenyl)amino]quinazolin-7-yl]oxymethyl]piperidin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[[6-azanyl-4-[(3-bromophenyl)amino]quinazolin-7-yl]oxymethyl]piperidin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[[6-amino-4-(3-bromoanilino)quinazolin-7-yl]oxymethyl]-1-piperidyl]acetate CAS Name: 2-[4-[[6-amino-4-(3-bromoanilino)-7-quinazolinyl]oxymethyl]-1-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[6-amino-4-(3-bromoanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate Traditional Name: 2-[4-[[6-amino-4-(3-bromoanilino)quinazolin-7-yl]oxymethyl]piperidino]acetic acid ethyl ester Formula: C24H28BrN5O3 MolecularWeight: 514.41482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)N

Isomeric SMILES

CCOC(=O)CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)N

InChI

InChI=1S/C24H28BrN5O3/c1-2-32-23(31)13-30-8-6-16(7-9-30)14-33-22-12-21-19(11-20(22)26)24(28-15-27-21)29-18-5-3-4-17(25)10-18/h3-5,10-12,15-16H,2,6-9,13-14,26H2,1H3,(H,27,28,29)