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

Systemtic Name: (4-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: (4-butylphenyl)-[4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C23H32N4O MolecularWeight: 380.52638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C

InChI

InChI=1S/C23H32N4O/c1-5-6-8-20-9-11-21(12-10-20)23(28)27-14-7-13-26(15-16-27)22-17(2)18(3)24-19(4)25-22/h9-12H,5-8,13-16H2,1-4H3