4-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]-2,6-dipyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]-2,6-dipyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-[2-(6,7-dimethoxyisochroman-1-yl)ethyl]piperazin-1-yl]-2,6-dipyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-1-piperazinyl]-2,6-bis(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-[2-(6,7-dimethoxyisochroman-1-yl)ethyl]piperazino]-2,6-dipyrrolidino-pyrimidine Formula: C29H42N6O3 MolecularWeight: 522.68218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(OCCC2=C1)CCN3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6)OC

Isomeric SMILES

COC1=C(C=C2C(OCCC2=C1)CCN3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6)OC

InChI

InChI=1S/C29H42N6O3/c1-36-25-19-22-8-18-38-24(23(22)20-26(25)37-2)7-13-32-14-16-34(17-15-32)28-21-27(33-9-3-4-10-33)30-29(31-28)35-11-5-6-12-35/h19-21,24H,3-18H2,1-2H3