ethyl 2-[4-[3-[4-[(3-bromophenyl)amino]-3-cyano-6-(prop-2-enoylamino)quinolin-7-yl]oxypropyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[3-[4-[(3-bromophenyl)amino]-3-cyano-6-(prop-2-enoylamino)quinolin-7-yl]oxypropyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[3-[[4-(3-bromoanilino)-3-cyano-6-(prop-2-enoylamino)-7-quinolyl]oxy]propyl]piperazin-1-yl]acetate CAS Name: 2-[4-[3-[[4-(3-bromoanilino)-3-cyano-6-(1-oxoprop-2-enylamino)-7-quinolinyl]oxy]propyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-[4-(3-bromoanilino)-3-cyano-6-(prop-2-enoylamino)quinolin-7-yl]oxypropyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[3-[[6-acrylamido-4-(3-bromoanilino)-3-cyano-7-quinolyl]oxy]propyl]piperazino]acetic acid ethyl ester Formula: C30H33BrN6O4 MolecularWeight: 621.52482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=CC=C4)Br)C#N)NC(=O)C=C

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=CC=C4)Br)C#N)NC(=O)C=C

InChI

InChI=1S/C30H33BrN6O4/c1-3-28(38)35-26-16-24-25(33-19-21(18-32)30(24)34-23-8-5-7-22(31)15-23)17-27(26)41-14-6-9-36-10-12-37(13-11-36)20-29(39)40-4-2/h3,5,7-8,15-17,19H,1,4,6,9-14,20H2,2H3,(H,33,34)(H,35,38)