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

Systemtic Name: [4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(o-tolyl)methanone CAS Name: [4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-(2-methylphenyl)methanone IUPAC Name: [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(o-tolyl)methanone Formula: C22H30N4O MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C

InChI

InChI=1S/C22H30N4O/c1-15(2)20-17(4)23-18(5)24-21(20)25-11-8-12-26(14-13-25)22(27)19-10-7-6-9-16(19)3/h6-7,9-10,15H,8,11-14H2,1-5H3