4-tert-butyl-9-(2-pyridin-4-ylethyl)pyrrolo[3,2-h][1,3]benzoxazin-2-one

Systemtic Name: 4-tert-butyl-9-(2-pyridin-4-ylethyl)pyrrolo[3,2-h][1,3]benzoxazin-2-one Openeye Name: 4-tert-butyl-9-[2-(4-pyridyl)ethyl]pyrrolo[3,2-h][1,3]benzoxazin-2-one CAS Name: 4-tert-butyl-9-(2-pyridin-4-ylethyl)-2-pyrrolo[3,2-h][1,3]benzoxazinone IUPAC Name: 4-tert-butyl-9-(2-pyridin-4-ylethyl)pyrrolo[3,2-h][1,3]benzoxazin-2-one Traditional Name: 4-tert-butyl-9-[2-(4-pyridyl)ethyl]pyrrolo[3,2-h][1,3]benzoxazin-2-one Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=O)OC2=C1C=CC3=C2N(C=C3)CCC4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C1=NC(=O)OC2=C1C=CC3=C2N(C=C3)CCC4=CC=NC=C4

InChI

InChI=1S/C21H21N3O2/c1-21(2,3)19-16-5-4-15-9-13-24(12-8-14-6-10-22-11-7-14)17(15)18(16)26-20(25)23-19/h4-7,9-11,13H,8,12H2,1-3H3