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

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-methoxy-pyrimidine Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-methoxy-pyrimidine CAS Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-4-methoxypyrimidine IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-methoxypyrimidine Traditional Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-4-methoxy-pyrimidine Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=NC(=NC=C1)N2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H21N3O3/c1-22-17-7-8-19-18(20-17)21-9-2-4-14(21)13-5-6-15-16(12-13)24-11-3-10-23-15/h5-8,12,14H,2-4,9-11H2,1H3