2-methyl-5-(4-phenylpiperazin-1-yl)-1H-indole-3-carboxylic acid

Systemtic Name: 2-methyl-5-(4-phenylpiperazin-1-yl)-1H-indole-3-carboxylic acid Openeye Name: 2-methyl-5-(4-phenylpiperazin-1-yl)-1H-indole-3-carboxylic acid CAS Name: 2-methyl-5-(4-phenyl-1-piperazinyl)-1H-indole-3-carboxylic acid IUPAC Name: 2-methyl-5-(4-phenylpiperazin-1-yl)-1H-indole-3-carboxylic acid Traditional Name: 2-methyl-5-(4-phenylpiperazino)-1H-indole-3-carboxylic acid Formula: C20H21N3O2 MolecularWeight: 335.39964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)N3CCN(CC3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)N3CCN(CC3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H21N3O2/c1-14-19(20(24)25)17-13-16(7-8-18(17)21-14)23-11-9-22(10-12-23)15-5-3-2-4-6-15/h2-8,13,21H,9-12H2,1H3,(H,24,25)