2-(4-cyclohexylpiperazin-1-yl)-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-(4-cyclohexylpiperazin-1-yl)-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-(4-cyclohexylpiperazin-1-yl)quinazolin-4-one CAS Name: 2-(4-cyclohexyl-1-piperazinyl)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-(4-cyclohexylpiperazin-1-yl)quinazolin-4-one Traditional Name: 3-benzyl-2-(4-cyclohexylpiperazino)quinazolin-4-one Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C25H30N4O/c30-24-22-13-7-8-14-23(22)26-25(29(24)19-20-9-3-1-4-10-20)28-17-15-27(16-18-28)21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2