1-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-3-(imidazol-1-ylmethyl)indole-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C=C(C3=C(C=CC=C32)C(=O)O)CN4C=CN=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CCCN2C=C(C3=C(C=CC=C32)C(=O)O)CN4C=CN=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H35N5O2/c39-33(40)29-13-7-14-30-31(29)28(23-36-18-15-34-25-36)24-38(30)17-8-16-35-19-21-37(22-20-35)32(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-7,9-15,18,24-25,32H,8,16-17,19-23H2,(H,39,40)