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

Systemtic Name: (4-pentylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-pentylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: (4-pentylphenyl)-[4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-pentylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-amylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C24H34N4O MolecularWeight: 394.55296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C

InChI

InChI=1S/C24H34N4O/c1-5-6-7-9-21-10-12-22(13-11-21)24(29)28-15-8-14-27(16-17-28)23-18(2)19(3)25-20(4)26-23/h10-13H,5-9,14-17H2,1-4H3