4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine

Systemtic Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine Openeye Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-isopropyl-6-methyl-pyrimidine CAS Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-6-methyl-2-propan-2-ylpyrimidine IUPAC Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-6-methyl-2-propan-2-ylpyrimidine Traditional Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-isopropyl-6-methyl-pyrimidine Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H27N3O2/c1-14(2)21-22-15(3)12-20(23-21)24-9-4-6-17(24)16-7-8-18-19(13-16)26-11-5-10-25-18/h7-8,12-14,17H,4-6,9-11H2,1-3H3