3-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

Systemtic Name: 3-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide Openeye Name: 3-[[6-(1,1-dimethylpropyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide CAS Name: 3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-[2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide Traditional Name: 3-[(6-tert-amyl-3-keto-1,4-benzoxazin-4-yl)methyl]-N-(2-pyrrolidinoethyl)benzamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)NCCN4CCCC4

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)NCCN4CCCC4

InChI

InChI=1S/C27H35N3O3/c1-4-27(2,3)22-10-11-24-23(17-22)30(25(31)19-33-24)18-20-8-7-9-21(16-20)26(32)28-12-15-29-13-5-6-14-29/h7-11,16-17H,4-6,12-15,18-19H2,1-3H3,(H,28,32)