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

Systemtic Name: 5-chloranyl-3-methyl-1-(2-methylpropyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-1-isobutyl-3-methyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-(2-methylpropyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-1-isobutyl-3-methyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]pyrazole-4-carboxamide Formula: C22H27ClN6O MolecularWeight: 426.94238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC=CC(=C2)C3=NN=C4N3CCCCC4)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC=CC(=C2)C3=NN=C4N3CCCCC4)Cl)CC(C)C

InChI

InChI=1S/C22H27ClN6O/c1-14(2)13-29-20(23)19(15(3)27-29)22(30)24-17-9-7-8-16(12-17)21-26-25-18-10-5-4-6-11-28(18)21/h7-9,12,14H,4-6,10-11,13H2,1-3H3,(H,24,30)