N,N-dimethyl-4-[[4-(phenylmethyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]aniline

Systemtic Name: N,N-dimethyl-4-[[4-(phenylmethyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]aniline Openeye Name: 4-[(4-benzylpiperazin-1-yl)-[1-(2-thienylmethyl)tetrazol-5-yl]methyl]-N,N-dimethyl-aniline CAS Name: N,N-dimethyl-4-[[4-(phenylmethyl)-1-piperazinyl]-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]methyl]aniline IUPAC Name: 4-[(4-benzylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline Traditional Name: [4-[(4-benzylpiperazino)-[1-(2-thenyl)tetrazol-5-yl]methyl]phenyl]-dimethyl-amine Formula: C26H31N7S MolecularWeight: 473.63624

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=NN=NN2CC3=CC=CS3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=NN=NN2CC3=CC=CS3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H31N7S/c1-30(2)23-12-10-22(11-13-23)25(26-27-28-29-33(26)20-24-9-6-18-34-24)32-16-14-31(15-17-32)19-21-7-4-3-5-8-21/h3-13,18,25H,14-17,19-20H2,1-2H3