2-(1,2-benzoxazol-3-yl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]ethanamide

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]ethanamide Openeye Name: 2-(1,2-benzoxazol-3-yl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide CAS Name: 2-(1,2-benzoxazol-3-yl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide IUPAC Name: 2-(1,2-benzoxazol-3-yl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide Traditional Name: 2-indoxazen-3-yl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]acetamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)CC4=NOC5=CC=CC=C54

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)CC4=NOC5=CC=CC=C54

InChI

InChI=1S/C22H21N5O2/c28-21(14-18-17-9-3-4-10-19(17)29-26-18)23-16-8-6-7-15(13-16)22-25-24-20-11-2-1-5-12-27(20)22/h3-4,6-10,13H,1-2,5,11-12,14H2,(H,23,28)