N-butan-2-yl-3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(phenylmethyl)amino]propanamide

Systemtic Name: N-butan-2-yl-3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-(4-fluorophenyl)quinazolin-4-yl]amino]-N-sec-butyl-propanamide CAS Name: N-butan-2-yl-3-[[2-(4-fluorophenyl)-4-quinazolinyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-(4-fluorophenyl)quinazolin-4-yl]amino]-N-butan-2-ylpropanamide Traditional Name: 3-[benzyl-[2-(4-fluorophenyl)quinazolin-4-yl]amino]-N-sec-butyl-propionamide Formula: C28H29FN4O MolecularWeight: 456.554463

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCN(CC1=CC=CC=C1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(C)NC(=O)CCN(CC1=CC=CC=C1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H29FN4O/c1-3-20(2)30-26(34)17-18-33(19-21-9-5-4-6-10-21)28-24-11-7-8-12-25(24)31-27(32-28)22-13-15-23(29)16-14-22/h4-16,20H,3,17-19H2,1-2H3,(H,30,34)