7-bromanyl-4-(3-phenylpropanoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-4-(3-phenylpropanoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-4-(3-phenylpropanoyl)-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-4-(1-oxo-3-phenylpropyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-4-(3-phenylpropanoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-4-hydrocinnamoyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H19BrN2O2S MolecularWeight: 455.36746

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)CCC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)CCC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H19BrN2O2S/c23-16-9-10-18-17(13-16)22(19-7-4-12-28-19)25(14-20(26)24-18)21(27)11-8-15-5-2-1-3-6-15/h1-7,9-10,12-13,22H,8,11,14H2,(H,24,26)