cyclopropyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: cyclopropyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone CAS Name: cyclopropyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: cyclopropyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Traditional Name: cyclopropyl-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Formula: C23H29FN4O MolecularWeight: 396.500963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CC3)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CC3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C23H29FN4O/c1-3-21-20(15-17-6-4-7-19(24)14-17)22(26-16(2)25-21)27-10-5-11-28(13-12-27)23(29)18-8-9-18/h4,6-7,14,18H,3,5,8-13,15H2,1-2H3