(7-methoxy-1-benzofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (7-methoxy-1-benzofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (7-methoxybenzofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (7-methoxy-2-benzofuranyl)-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (7-methoxy-1-benzofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (7-methoxybenzofuran-2-yl)-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]methanone Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)N3CCN(CC3)C4=NC=NC(=C4)N5CCCC5

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N3CCN(CC3)C4=NC=NC(=C4)N5CCCC5

InChI

InChI=1S/C22H25N5O3/c1-29-17-6-4-5-16-13-18(30-21(16)17)22(28)27-11-9-26(10-12-27)20-14-19(23-15-24-20)25-7-2-3-8-25/h4-6,13-15H,2-3,7-12H2,1H3