2-[(3-fluoranyl-4-piperazin-1-yl-phenyl)amino]-8-propan-2-yl-1H-quinazolin-7-one

Systemtic Name: 2-[(3-fluoranyl-4-piperazin-1-yl-phenyl)amino]-8-propan-2-yl-1H-quinazolin-7-one Openeye Name: 2-(3-fluoro-4-piperazin-1-yl-anilino)-8-isopropyl-1H-quinazolin-7-one CAS Name: 2-[3-fluoro-4-(1-piperazinyl)anilino]-8-propan-2-yl-1H-quinazolin-7-one IUPAC Name: 2-(3-fluoro-4-piperazin-1-ylanilino)-8-propan-2-yl-1H-quinazolin-7-one Traditional Name: 2-(3-fluoro-4-piperazino-anilino)-8-isopropyl-1H-quinazolin-7-one Formula: C21H24FN5O MolecularWeight: 381.446563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CN=C(N2)NC3=CC(=C(C=C3)N4CCNCC4)F)C=CC1=O

Isomeric SMILES

CC(C)C1=C2C(=CN=C(N2)NC3=CC(=C(C=C3)N4CCNCC4)F)C=CC1=O

InChI

InChI=1S/C21H24FN5O/c1-13(2)19-18(28)6-3-14-12-24-21(26-20(14)19)25-15-4-5-17(16(22)11-15)27-9-7-23-8-10-27/h3-6,11-13,23H,7-10H2,1-2H3,(H2,24,25,26)