6-(3,4-dimethylphenyl)-2-ethyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one

Systemtic Name: 6-(3,4-dimethylphenyl)-2-ethyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Openeye Name: 6-(3,4-dimethylphenyl)-2-ethyl-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]quinazolin-4-one CAS Name: 6-(3,4-dimethylphenyl)-2-ethyl-3-[[(3S)-1-propan-2-yl-3-piperidinyl]methyl]-4-quinazolinone IUPAC Name: 6-(3,4-dimethylphenyl)-2-ethyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Traditional Name: 6-(3,4-dimethylphenyl)-2-ethyl-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]quinazolin-4-one Formula: C27H35N3O MolecularWeight: 417.5863

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)C)C)C(=O)N1CC4CCCN(C4)C(C)C

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)C)C)C(=O)N1C[C@H]4CCCN(C4)C(C)C

InChI

InChI=1S/C27H35N3O/c1-6-26-28-25-12-11-23(22-10-9-19(4)20(5)14-22)15-24(25)27(31)30(26)17-21-8-7-13-29(16-21)18(2)3/h9-12,14-15,18,21H,6-8,13,16-17H2,1-5H3/t21-/m0/s1