ethyl 1-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-5-(imidazol-1-ylmethyl)indole-2-carboxylate

Systemtic Name: ethyl 1-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-5-(imidazol-1-ylmethyl)indole-2-carboxylate Openeye Name: ethyl 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-5-(imidazol-1-ylmethyl)indole-2-carboxylate CAS Name: 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-5-(1-imidazolylmethyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-5-(imidazol-1-ylmethyl)indole-2-carboxylate Traditional Name: 1-[3-(4-benzhydrylpiperazino)propyl]-5-(imidazol-1-ylmethyl)indole-2-carboxylic acid ethyl ester Formula: C35H39N5O2 MolecularWeight: 561.71646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C2)CN6C=CN=C6

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C2)CN6C=CN=C6

InChI

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