methyl 1-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylate

Systemtic Name: methyl 1-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylate Openeye Name: methyl 1-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylate CAS Name: 1-[2-[4-(diphenylmethyl)-1-piperazinyl]ethyl]-3-(1-imidazolylmethyl)-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylate Traditional Name: 1-[2-(4-benzhydrylpiperazino)ethyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid methyl ester Formula: C33H35N5O2 MolecularWeight: 533.6633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2CCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CN6C=CN=C6

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2CCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CN6C=CN=C6

InChI

InChI=1S/C33H35N5O2/c1-40-33(39)28-12-13-30-29(23-36-15-14-34-25-36)24-38(31(30)22-28)21-18-35-16-19-37(20-17-35)32(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-15,22,24-25,32H,16-21,23H2,1H3