2-(1,3-benzodioxol-5-yl)-2-methyl-3-[(phenylmethyl)amino]oxane-3-carbonitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-methyl-3-[(phenylmethyl)amino]oxane-3-carbonitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(benzylamino)-2-methyl-tetrahydropyran-3-carbonitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-2-methyl-3-[(phenylmethyl)amino]-3-oxanecarbonitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(benzylamino)-2-methyloxane-3-carbonitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(benzylamino)-2-methyl-tetrahydropyran-3-carbonitrile Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCO1)(C#N)NCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1(C(CCCO1)(C#N)NCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O3/c1-20(17-8-9-18-19(12-17)25-15-24-18)21(14-22,10-5-11-26-20)23-13-16-6-3-2-4-7-16/h2-4,6-9,12,23H,5,10-11,13,15H2,1H3