2-(cyclopropylmethyl)-6-(4-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one

Systemtic Name: 2-(cyclopropylmethyl)-6-(4-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Openeye Name: 2-(cyclopropylmethyl)-6-(4-fluorophenyl)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]quinazolin-4-one CAS Name: 2-(cyclopropylmethyl)-6-(4-fluorophenyl)-3-[[(3S)-1-propan-2-yl-3-piperidinyl]methyl]-4-quinazolinone IUPAC Name: 2-(cyclopropylmethyl)-6-(4-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Traditional Name: 2-(cyclopropylmethyl)-6-(4-fluorophenyl)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]quinazolin-4-one Formula: C27H32FN3O MolecularWeight: 433.560883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCC(C1)CN2C(=NC3=C(C2=O)C=C(C=C3)C4=CC=C(C=C4)F)CC5CC5

Isomeric SMILES

CC(C)N1CCC[C@@H](C1)CN2C(=NC3=C(C2=O)C=C(C=C3)C4=CC=C(C=C4)F)CC5CC5

InChI

InChI=1S/C27H32FN3O/c1-18(2)30-13-3-4-20(16-30)17-31-26(14-19-5-6-19)29-25-12-9-22(15-24(25)27(31)32)21-7-10-23(28)11-8-21/h7-12,15,18-20H,3-6,13-14,16-17H2,1-2H3/t20-/m0/s1