1-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylmethoxy-ethanone

Systemtic Name: 1-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 2-benzyloxy-1-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-2-phenylmethoxyethanone IUPAC Name: 1-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Formula: C23H32N4O2 MolecularWeight: 396.52578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)COCC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)COCC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C23H32N4O2/c1-17(2)22-18(3)24-19(4)25-23(22)27-12-8-11-26(13-14-27)21(28)16-29-15-20-9-6-5-7-10-20/h5-7,9-10,17H,8,11-16H2,1-4H3