N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1-phenyl-1,2,3,4-tetrazol-5-amine

Systemtic Name: N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1-phenyl-1,2,3,4-tetrazol-5-amine Openeye Name: N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1-phenyl-tetrazol-5-amine CAS Name: N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1-phenyl-5-tetrazolamine IUPAC Name: N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1-phenyltetrazol-5-amine Traditional Name: [(1S)-1-(3,4-dipropoxyphenyl)ethyl]-(1-phenyltetrazol-5-yl)amine Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C)NC2=NN=NN2C3=CC=CC=C3)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H](C)NC2=NN=NN2C3=CC=CC=C3)OCCC

InChI

InChI=1S/C21H27N5O2/c1-4-13-27-19-12-11-17(15-20(19)28-14-5-2)16(3)22-21-23-24-25-26(21)18-9-7-6-8-10-18/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,22,23,25)/t16-/m0/s1