1-[2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl]-2-ethyl-indole-3-carboxylic acid

Systemtic Name: 1-[2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl]-2-ethyl-indole-3-carboxylic acid Openeye Name: 1-[2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl]-2-ethyl-indole-3-carboxylic acid CAS Name: 1-[2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl]-2-ethyl-3-indolecarboxylic acid IUPAC Name: 1-[2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl]-2-ethylindole-3-carboxylic acid Traditional Name: 1-[2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl]-2-ethyl-indole-3-carboxylic acid Formula: C29H30ClN3O2 MolecularWeight: 488.0204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2N1N3CCCNCC3(CC4=CC=CC=C4)C5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

CCC1=C(C2=CC=CC=C2N1N3CCCNCC3(CC4=CC=CC=C4)C5=CC=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C29H30ClN3O2/c1-2-25-27(28(34)35)24-11-6-7-12-26(24)33(25)32-18-8-17-31-20-29(32,19-21-9-4-3-5-10-21)22-13-15-23(30)16-14-22/h3-7,9-16,31H,2,8,17-20H2,1H3,(H,34,35)