(3-methylphenyl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: (3-methylphenyl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: m-tolyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: (3-methylphenyl)-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methylphenyl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: m-tolyl-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C17H20N4O MolecularWeight: 296.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H20N4O/c1-14-5-2-6-15(13-14)16(22)20-9-4-10-21(12-11-20)17-18-7-3-8-19-17/h2-3,5-8,13H,4,9-12H2,1H3