N-(3-fluoranyl-4-piperazin-1-yl-phenyl)-7-methoxy-8-propan-2-yl-quinazolin-2-amine

Systemtic Name: N-(3-fluoranyl-4-piperazin-1-yl-phenyl)-7-methoxy-8-propan-2-yl-quinazolin-2-amine Openeye Name: N-(3-fluoro-4-piperazin-1-yl-phenyl)-8-isopropyl-7-methoxy-quinazolin-2-amine CAS Name: N-[3-fluoro-4-(1-piperazinyl)phenyl]-7-methoxy-8-propan-2-yl-2-quinazolinamine IUPAC Name: N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxy-8-propan-2-ylquinazolin-2-amine Traditional Name: (3-fluoro-4-piperazino-phenyl)-(8-isopropyl-7-methoxy-quinazolin-2-yl)amine Formula: C22H26FN5O MolecularWeight: 395.473143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC2=CN=C(N=C21)NC3=CC(=C(C=C3)N4CCNCC4)F)OC

Isomeric SMILES

CC(C)C1=C(C=CC2=CN=C(N=C21)NC3=CC(=C(C=C3)N4CCNCC4)F)OC

InChI

InChI=1S/C22H26FN5O/c1-14(2)20-19(29-3)7-4-15-13-25-22(27-21(15)20)26-16-5-6-18(17(23)12-16)28-10-8-24-9-11-28/h4-7,12-14,24H,8-11H2,1-3H3,(H,25,26,27)