2-[1-(4-tert-butylphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1,3-benzoxazole

Systemtic Name: 2-[1-(4-tert-butylphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1,3-benzoxazole Openeye Name: 2-[1-(4-tert-butylphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1,3-benzoxazole CAS Name: 2-[1-(4-tert-butylphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1,3-benzoxazole IUPAC Name: 2-[1-(4-tert-butylphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1,3-benzoxazole Traditional Name: 2-[1-(4-tert-butylphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-1,3-benzoxazole Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C3=CC=CN3CCCN2C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C3=CC=CN3CCCN2C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H27N3O/c1-25(2,3)19-13-11-18(12-14-19)23-21-9-6-15-27(21)16-7-17-28(23)24-26-20-8-4-5-10-22(20)29-24/h4-6,8-15,23H,7,16-17H2,1-3H3