[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl] 1H-indole-3-carboxylate

Systemtic Name: [1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl] 1H-indole-3-carboxylate Openeye Name: (1-benzyl-4-methyl-1,4-diazepan-6-yl) 1H-indole-3-carboxylate CAS Name: 1H-indole-3-carboxylic acid [1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl] ester IUPAC Name: (1-benzyl-4-methyl-1,4-diazepan-6-yl) 1H-indole-3-carboxylate Traditional Name: 1H-indole-3-carboxylic acid (1-benzyl-4-methyl-1,4-diazepan-6-yl) ester Formula: C22H25N3O2 MolecularWeight: 363.4528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC(C1)OC(=O)C2=CNC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC(C1)OC(=O)C2=CNC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-24-11-12-25(14-17-7-3-2-4-8-17)16-18(15-24)27-22(26)20-13-23-21-10-6-5-9-19(20)21/h2-10,13,18,23H,11-12,14-16H2,1H3