N-(3-chlorophenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-(2-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-chlorophenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-(2-pyrimidyl)-1,4-diazepane-1-carboxamide Formula: C16H18ClN5O MolecularWeight: 331.80002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC(=CC=C2)Cl)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC(=CC=C2)Cl)C3=NC=CC=N3

InChI

InChI=1S/C16H18ClN5O/c17-13-4-1-5-14(12-13)20-16(23)22-9-3-8-21(10-11-22)15-18-6-2-7-19-15/h1-2,4-7,12H,3,8-11H2,(H,20,23)