1-[(2-methoxyphenyl)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]azepane

Systemtic Name: 1-[(2-methoxyphenyl)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]azepane Openeye Name: 1-[(2-methoxyphenyl)-(1-phenethyltetrazol-5-yl)methyl]azepane CAS Name: 1-[(2-methoxyphenyl)-(1-phenethyl-5-tetrazolyl)methyl]azepane IUPAC Name: 1-[(2-methoxyphenyl)-(1-phenethyltetrazol-5-yl)methyl]azepane Traditional Name: 1-[(2-methoxyphenyl)-(1-phenethyltetrazol-5-yl)methyl]azepane Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=NN=NN2CCC3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1C(C2=NN=NN2CCC3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C23H29N5O/c1-29-21-14-8-7-13-20(21)22(27-16-9-2-3-10-17-27)23-24-25-26-28(23)18-15-19-11-5-4-6-12-19/h4-8,11-14,22H,2-3,9-10,15-18H2,1H3