(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid (1-propyltetrazol-5-yl)methyl ester Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN5O3/c1-2-9-24-16(20-21-22-24)12-27-18(26)14-7-10-23(11-8-14)17(25)13-3-5-15(19)6-4-13/h3-6,14H,2,7-12H2,1H3