N-[2-(fluoranylmethyl)-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-6-yl]butanamide hydrate

Systemtic Name: N-[2-(fluoranylmethyl)-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-6-yl]butanamide hydrate Openeye Name: N-[2-(fluoromethyl)-3-(o-tolyl)-4-oxo-quinazolin-6-yl]butanamide hydrate CAS Name: N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxo-6-quinazolinyl]butanamide hydrate IUPAC Name: N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]butanamide hydrate Traditional Name: N-[2-(fluoromethyl)-4-keto-3-(o-tolyl)quinazolin-6-yl]butyramide hydrate Formula: C20H22FN3O3 MolecularWeight: 371.405383

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3C)CF.O

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3C)CF.O

InChI

InChI=1S/C20H20FN3O2.H2O/c1-3-6-19(25)22-14-9-10-16-15(11-14)20(26)24(18(12-21)23-16)17-8-5-4-7-13(17)2;/h4-5,7-11H,3,6,12H2,1-2H3,(H,22,25);1H2