6-(4-tert-butylcyclohexyl)-7-(4-butylpiperazin-1-yl)-4-methyl-1,4-benzoxazin-3-one

Systemtic Name: 6-(4-tert-butylcyclohexyl)-7-(4-butylpiperazin-1-yl)-4-methyl-1,4-benzoxazin-3-one Openeye Name: 6-(4-tert-butylcyclohexyl)-7-(4-butylpiperazin-1-yl)-4-methyl-1,4-benzoxazin-3-one CAS Name: 6-(4-tert-butylcyclohexyl)-7-(4-butyl-1-piperazinyl)-4-methyl-1,4-benzoxazin-3-one IUPAC Name: 6-(4-tert-butylcyclohexyl)-7-(4-butylpiperazin-1-yl)-4-methyl-1,4-benzoxazin-3-one Traditional Name: 6-(4-tert-butylcyclohexyl)-7-(4-butylpiperazino)-4-methyl-1,4-benzoxazin-3-one Formula: C27H43N3O2 MolecularWeight: 441.64922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=CC3=C(C=C2C4CCC(CC4)C(C)(C)C)N(C(=O)CO3)C

Isomeric SMILES

CCCCN1CCN(CC1)C2=CC3=C(C=C2C4CCC(CC4)C(C)(C)C)N(C(=O)CO3)C

InChI

InChI=1S/C27H43N3O2/c1-6-7-12-29-13-15-30(16-14-29)23-18-25-24(28(5)26(31)19-32-25)17-22(23)20-8-10-21(11-9-20)27(2,3)4/h17-18,20-21H,6-16,19H2,1-5H3