N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyl-1,2,3,4-tetrazol-2-yl)adamantane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyl-1,2,3,4-tetrazol-2-yl)adamantane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyl-2-tetrazolyl)-1-adamantanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide Traditional Name: 3-(5-methyltetrazol-2-yl)-N-piperonyl-adamantane-1-carboxamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C21H25N5O3/c1-13-23-25-26(24-13)21-8-15-4-16(9-21)7-20(6-15,11-21)19(27)22-10-14-2-3-17-18(5-14)29-12-28-17/h2-3,5,15-16H,4,6-12H2,1H3,(H,22,27)