3-[[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]methyl-methyl-amino]pyrrolidin-2-one

Systemtic Name: 3-[[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]methyl-methyl-amino]pyrrolidin-2-one Openeye Name: 3-[[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]methyl-methyl-amino]pyrrolidin-2-one CAS Name: 3-[[4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl]methyl-methylamino]-2-pyrrolidinone IUPAC Name: 3-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]pyrrolidin-2-one Traditional Name: 3-[[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]methyl-methyl-amino]-2-pyrrolidone Formula: C21H21ClFN5O2 MolecularWeight: 429.875143

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C(=CC=C3)Cl)F)OC)C4CCNC4=O

Isomeric SMILES

CN(CC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C(=CC=C3)Cl)F)OC)C4CCNC4=O

InChI

InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)