(phenylmethyl) 2-methyl-5-(4-phenylpiperazin-1-yl)-1H-indole-3-carboxylate

Systemtic Name: (phenylmethyl) 2-methyl-5-(4-phenylpiperazin-1-yl)-1H-indole-3-carboxylate Openeye Name: benzyl 2-methyl-5-(4-phenylpiperazin-1-yl)-1H-indole-3-carboxylate CAS Name: 2-methyl-5-(4-phenyl-1-piperazinyl)-1H-indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-5-(4-phenylpiperazin-1-yl)-1H-indole-3-carboxylate Traditional Name: 2-methyl-5-(4-phenylpiperazino)-1H-indole-3-carboxylic acid benzyl ester Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)N3CCN(CC3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)N3CCN(CC3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2/c1-20-26(27(31)32-19-21-8-4-2-5-9-21)24-18-23(12-13-25(24)28-20)30-16-14-29(15-17-30)22-10-6-3-7-11-22/h2-13,18,28H,14-17,19H2,1H3