3-(1,3-benzodioxol-5-ylmethyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-spiro[1H-quinazoline-2,1'-cyclohexane]one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one Traditional Name: 3-piperonylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC2(CC1)NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N2O3/c24-20-16-6-2-3-7-17(16)22-21(10-4-1-5-11-21)23(20)13-15-8-9-18-19(12-15)26-14-25-18/h2-3,6-9,12,22H,1,4-5,10-11,13-14H2