(4-butoxyphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C23H32N4O2 MolecularWeight: 396.52578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C

InChI

InChI=1S/C23H32N4O2/c1-5-6-16-29-21-10-8-20(9-11-21)23(28)27-13-7-12-26(14-15-27)22-17(2)18(3)24-19(4)25-22/h8-11H,5-7,12-16H2,1-4H3