1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2-naphthalen-2-yloxy-ethanone

Systemtic Name: 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(2-naphthyloxy)ethanone CAS Name: 1-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-(2-naphthalenyloxy)ethanone IUPAC Name: 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2-naphthalen-2-yloxyethanone Traditional Name: 1-[4-(2,6-dipyrrolidinopyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(2-naphthoxy)ethanone Formula: C29H36N6O2 MolecularWeight: 500.63514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCCN(CC4)C(=O)COC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCCN(CC4)C(=O)COC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C29H36N6O2/c36-28(22-37-25-11-10-23-8-1-2-9-24(23)20-25)34-17-7-16-33(18-19-34)27-21-26(32-12-3-4-13-32)30-29(31-27)35-14-5-6-15-35/h1-2,8-11,20-21H,3-7,12-19,22H2