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

Systemtic Name: 2-azanyl-5-[2-[3-(7,8-dimethoxy-4-oxidanylidene-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-methyl-amino]ethyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 2-amino-5-[2-[3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-methyl-amino]ethyl]-3-fluoro-benzonitrile CAS Name: 2-amino-5-[2-[3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-methylamino]ethyl]-3-fluorobenzonitrile IUPAC Name: 2-amino-5-[2-[3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-methylamino]ethyl]-3-fluorobenzonitrile Traditional Name: 2-amino-3-fluoro-5-[2-[3-(4-keto-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-methyl-amino]ethyl]benzonitrile Formula: C25H31FN4O3 MolecularWeight: 454.537043

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C25H31FN4O3/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