7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 3-pyridin-2-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 3-pyridin-2-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 3-(2-pyridyl)-6-(3-thienyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 3-(2-pyridinyl)-6-(3-thiophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 3-pyridin-2-yl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 3-(2-pyridyl)-6-(3-thienyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C31H23ClN6O2S MolecularWeight: 579.07132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.C1=CC=NC(=C1)C2=CNN3C2=NC=C(C3=O)C4=CSC=C4

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.C1=CC=NC(=C1)C2=CNN3C2=NC=C(C3=O)C4=CSC=C4

InChI

InChI=1S/C16H13ClN2O.C15H10N4OS/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11;20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h2-9H,10H2,1H3;1-9,18H