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

Systemtic Name: (4-ethylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-ethylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: (4-ethylphenyl)-[4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-ethylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-ethylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C

InChI

InChI=1S/C21H28N4O/c1-5-18-7-9-19(10-8-18)21(26)25-12-6-11-24(13-14-25)20-15(2)16(3)22-17(4)23-20/h7-10H,5-6,11-14H2,1-4H3