2-azanyl-3-bromanyl-5-[2-[3-(7,8-dimethoxy-4-oxidanylidene-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-methyl-amino]ethyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-bromanyl-5-[2-[3-(7,8-dimethoxy-4-oxidanylidene-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-methyl-amino]ethyl]benzenecarbonitrile Openeye Name: 2-amino-3-bromo-5-[2-[3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-methyl-amino]ethyl]benzonitrile CAS Name: 2-amino-3-bromo-5-[2-[3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-methylamino]ethyl]benzonitrile IUPAC Name: 2-amino-3-bromo-5-[2-[3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-methylamino]ethyl]benzonitrile Traditional Name: 2-amino-3-bromo-5-[2-[3-(4-keto-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-methyl-amino]ethyl]benzonitrile Formula: C25H31BrN4O3 MolecularWeight: 515.44264

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CC(=C(C(=C3)C#N)N)Br

Isomeric SMILES

CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CC(=C(C(=C3)C#N)N)Br

InChI

InChI=1S/C25H31BrN4O3/c1-29(9-5-17-11-20(16-27)25(28)21(26)12-17)7-4-8-30-10-6-18-13-22(32-2)23(33-3)14-19(18)15-24(30)31/h11-14H,4-10,15,28H2,1-3H3