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5-chloranyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-chloranyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name:5-chloranyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
Openeye Name:5-chloro-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CAS Name:5-chloro-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide
IUPAC Name:5-chloro-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
Traditional Name:5-chloro-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide
Formula: C22H21ClN4O3
MolecularWeight: 424.88014
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C(=C4)Cl)OCCO5


Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C(=C4)Cl)OCCO5


InChI

InChI=1S/C22H21ClN4O3/c23-17-12-15(13-18-20(17)30-10-9-29-18)22(28)24-16-6-4-5-14(11-16)21-26-25-19-7-2-1-3-8-27(19)21/h4-6,11-13H,1-3,7-10H2,(H,24,28)


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