N-[1-(3-bromanylpropyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide

Systemtic Name: N-[1-(3-bromanylpropyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Openeye Name: N-[1-(3-bromopropyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide CAS Name: N-[1-(3-bromopropyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide IUPAC Name: N-[1-(3-bromopropyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Traditional Name: N-[1-(3-bromopropyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Formula: C27H23BrN4O2 MolecularWeight: 515.40112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CCCBr)NC(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CCCBr)NC(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C27H23BrN4O2/c28-15-8-16-32-23-14-7-5-12-20(23)24(18-9-2-1-3-10-18)30-25(27(32)34)31-26(33)22-17-19-11-4-6-13-21(19)29-22/h1-7,9-14,17,25,29H,8,15-16H2,(H,31,33)