2-(azepan-1-yl)ethyl 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carboxylate

Systemtic Name: 2-(azepan-1-yl)ethyl 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carboxylate Openeye Name: 2-(azepan-1-yl)ethyl 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carboxylate CAS Name: 4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinecarboxylic acid 2-(1-azepanyl)ethyl ester IUPAC Name: 2-(azepan-1-yl)ethyl 4-[(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxylate Traditional Name: 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carboxylic acid 2-(azepan-1-yl)ethyl ester Formula: C26H34ClN3O2 MolecularWeight: 456.02006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)CCOC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H34ClN3O2/c27-24-12-10-23(11-13-24)25(22-8-4-3-5-9-22)29-16-18-30(19-17-29)26(31)32-21-20-28-14-6-1-2-7-15-28/h3-5,8-13,25H,1-2,6-7,14-21H2