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

Systemtic Name: ethyl 1-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylate Openeye Name: ethyl 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylate CAS Name: 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-3-(1-imidazolylmethyl)-6-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylate Traditional Name: 1-[3-(4-benzhydrylpiperazino)propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid ethyl ester Formula: C35H39N5O2 MolecularWeight: 561.71646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=CN2CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CN6C=CN=C6

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=CN2CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CN6C=CN=C6

InChI

InChI=1S/C35H39N5O2/c1-2-42-35(41)30-14-15-32-31(25-38-19-16-36-27-38)26-40(33(32)24-30)18-9-17-37-20-22-39(23-21-37)34(28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-16,19,24,26-27,34H,2,9,17-18,20-23,25H2,1H3