[[2-[bis(phenylmethyl)amino]phenyl]methyl-(phenylmethyl)amino] azepane-1-carboxylate

Systemtic Name: [[2-[bis(phenylmethyl)amino]phenyl]methyl-(phenylmethyl)amino] azepane-1-carboxylate Openeye Name: [benzyl-[[2-(dibenzylamino)phenyl]methyl]amino] azepane-1-carboxylate CAS Name: 1-azepanecarboxylic acid [[2-[bis(phenylmethyl)amino]phenyl]methyl-(phenylmethyl)amino] ester IUPAC Name: [benzyl-[[2-(dibenzylamino)phenyl]methyl]amino] azepane-1-carboxylate Traditional Name: azepane-1-carboxylic acid [benzyl-[2-(dibenzylamino)benzyl]amino] ester Formula: C35H39N3O2 MolecularWeight: 533.70306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)ON(CC2=CC=CC=C2)CC3=CC=CC=C3N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)ON(CC2=CC=CC=C2)CC3=CC=CC=C3N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C35H39N3O2/c39-35(36-24-14-1-2-15-25-36)40-38(28-32-20-10-5-11-21-32)29-33-22-12-13-23-34(33)37(26-30-16-6-3-7-17-30)27-31-18-8-4-9-19-31/h3-13,16-23H,1-2,14-15,24-29H2