[1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]-[4-(benzotriazol-1-yl)piperidin-1-yl]methanone

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]-[4-(benzotriazol-1-yl)piperidin-1-yl]methanone Openeye Name: [1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]-[4-(benzotriazol-1-yl)-1-piperidyl]methanone CAS Name: [1-(1,3-benzodioxol-5-ylmethyl)-2-aziridinyl]-[4-(1-benzotriazolyl)-1-piperidinyl]methanone IUPAC Name: [1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]-[4-(benzotriazol-1-yl)piperidin-1-yl]methanone Traditional Name: [4-(benzotriazol-1-yl)piperidino]-(1-piperonylethylenimin-2-yl)methanone Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3N=N2)C(=O)C4CN4CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3N=N2)C(=O)C4CN4CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C22H23N5O3/c28-22(19-13-26(19)12-15-5-6-20-21(11-15)30-14-29-20)25-9-7-16(8-10-25)27-18-4-2-1-3-17(18)23-24-27/h1-6,11,16,19H,7-10,12-14H2