8-bromanyl-7-methoxy-3-[(1-phenethylpiperidin-3-yl)methyl]-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 8-bromanyl-7-methoxy-3-[(1-phenethylpiperidin-3-yl)methyl]-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 8-bromo-7-methoxy-3-[(1-phenethyl-3-piperidyl)methyl]-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 8-bromo-7-methoxy-3-[(1-phenethyl-3-piperidinyl)methyl]-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 8-bromo-7-methoxy-3-[(1-phenethylpiperidin-3-yl)methyl]-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 8-bromo-7-methoxy-3-[(1-phenethyl-3-piperidyl)methyl]-2,5-dihydro-1H-3-benzazepin-4-one Formula: C25H31BrN2O2 MolecularWeight: 471.42984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCN(C(=O)CC2=C1)CC3CCCN(C3)CCC4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C2CCN(C(=O)CC2=C1)CC3CCCN(C3)CCC4=CC=CC=C4)Br

InChI

InChI=1S/C25H31BrN2O2/c1-30-24-15-22-16-25(29)28(13-10-21(22)14-23(24)26)18-20-8-5-11-27(17-20)12-9-19-6-3-2-4-7-19/h2-4,6-7,14-15,20H,5,8-13,16-18H2,1H3