[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-ethylphenyl)methanone

Systemtic Name: [4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-ethylphenyl)methanone Openeye Name: (4-ethylphenyl)-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-(4-ethylphenyl)methanone IUPAC Name: [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-ethylphenyl)methanone Traditional Name: (4-ethylphenyl)-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C23H32N4O MolecularWeight: 380.52638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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