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

Systemtic Name: 2-(2-methylindol-1-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]ethanamide Openeye Name: 2-(2-methylindol-1-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide CAS Name: 2-(2-methyl-1-indolyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide IUPAC Name: 2-(2-methylindol-1-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide Traditional Name: 2-(2-methylindol-1-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]acetamide Formula: C24H25N5O MolecularWeight: 399.4882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1CC(=O)NC3=CC=C(C=C3)C4=NN=C5N4CCCCC5

Isomeric SMILES

CC1=CC2=CC=CC=C2N1CC(=O)NC3=CC=C(C=C3)C4=NN=C5N4CCCCC5

InChI

InChI=1S/C24H25N5O/c1-17-15-19-7-4-5-8-21(19)29(17)16-23(30)25-20-12-10-18(11-13-20)24-27-26-22-9-3-2-6-14-28(22)24/h4-5,7-8,10-13,15H,2-3,6,9,14,16H2,1H3,(H,25,30)