N-[[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-3-(4-phenylpiperazin-1-yl)propanamide

Systemtic Name: N-[[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-3-(4-phenylpiperazin-1-yl)propanamide Openeye Name: N-[[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]methyl]-3-(4-phenylpiperazin-1-yl)propanamide CAS Name: N-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]methyl]-3-(4-phenyl-1-piperazinyl)propanamide IUPAC Name: N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]-3-(4-phenylpiperazin-1-yl)propanamide Traditional Name: N-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]methyl]-3-(4-phenylpiperazino)propionamide Formula: C28H28FN5O2 MolecularWeight: 485.552623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC(=O)NCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C28H28FN5O2/c29-21-10-12-23(13-11-21)34-26(31-25-9-5-4-8-24(25)28(34)36)20-30-27(35)14-15-32-16-18-33(19-17-32)22-6-2-1-3-7-22/h1-13H,14-20H2,(H,30,35)