phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: phenyl-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: phenyl-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=NC=CC=N3

InChI

InChI=1S/C16H18N4O/c21-15(14-6-2-1-3-7-14)19-10-5-11-20(13-12-19)16-17-8-4-9-18-16/h1-4,6-9H,5,10-13H2