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

Systemtic Name: N-[1-(2-bromoethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Openeye Name: N-[1-(2-bromoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide CAS Name: N-[1-(2-bromoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide IUPAC Name: N-[1-(2-bromoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Traditional Name: N-[1-(2-bromoethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Formula: C26H21BrN4O2 MolecularWeight: 501.37454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21BrN4O2/c27-14-15-31-22-13-7-5-11-19(22)23(17-8-2-1-3-9-17)29-24(26(31)33)30-25(32)21-16-18-10-4-6-12-20(18)28-21/h1-13,16,24,28H,14-15H2,(H,30,32)