ethyl 4-[4-(azepan-1-ylmethyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(azepan-1-ylmethyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(azepan-1-ylmethyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-(1-azepanylmethyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(azepan-1-ylmethyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(azepan-1-ylmethyl)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCCCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCCCCC3

InChI

InChI=1S/C21H31N3O3/c1-2-27-21(26)24-15-13-23(14-16-24)20(25)19-9-7-18(8-10-19)17-22-11-5-3-4-6-12-22/h7-10H,2-6,11-17H2,1H3