(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)prop-2-enamide

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)prop-2-enamide Openeye Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)prop-2-enamide CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)-2-propenamide IUPAC Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)prop-2-enamide Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acrylamide Formula: C23H28ClN5O MolecularWeight: 425.95432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC2=CC3=C(C=C2)N4CCCCCC4=N3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC2=CC3=C(C=C2)N4CCCCCC4=N3)Cl)CC(C)C

InChI

InChI=1S/C23H28ClN5O/c1-15(2)14-29-23(24)18(16(3)27-29)9-11-22(30)25-17-8-10-20-19(13-17)26-21-7-5-4-6-12-28(20)21/h8-11,13,15H,4-7,12,14H2,1-3H3,(H,25,30)/b11-9+