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

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

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C)C)C

InChI

InChI=1S/C23H32N4O/c1-16-17(2)24-18(3)25-21(16)26-12-7-13-27(15-14-26)22(28)19-8-10-20(11-9-19)23(4,5)6/h8-11H,7,12-15H2,1-6H3