ethyl 1-[2-[(4-chlorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl]-2-ethyl-indole-3-carboxylate

Systemtic Name: ethyl 1-[2-[(4-chlorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl]-2-ethyl-indole-3-carboxylate Openeye Name: ethyl 1-[2-[(4-chlorophenyl)-(2-pyridyl)methyl]piperazin-1-yl]-2-ethyl-indole-3-carboxylate CAS Name: 1-[2-[(4-chlorophenyl)-(2-pyridinyl)methyl]-1-piperazinyl]-2-ethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-2-ethylindole-3-carboxylate Traditional Name: 1-[2-[(4-chlorophenyl)-(2-pyridyl)methyl]piperazino]-2-ethyl-indole-3-carboxylic acid ethyl ester Formula: C29H31ClN4O2 MolecularWeight: 503.03504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2N1N3CCNCC3C(C4=CC=C(C=C4)Cl)C5=CC=CC=N5)C(=O)OCC

Isomeric SMILES

CCC1=C(C2=CC=CC=C2N1N3CCNCC3C(C4=CC=C(C=C4)Cl)C5=CC=CC=N5)C(=O)OCC

InChI

InChI=1S/C29H31ClN4O2/c1-3-24-28(29(35)36-4-2)22-9-5-6-11-25(22)34(24)33-18-17-31-19-26(33)27(23-10-7-8-16-32-23)20-12-14-21(30)15-13-20/h5-16,26-27,31H,3-4,17-19H2,1-2H3